#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f06 s THR 502 N 0.00 2.95 0.55 3.17 -4.23 -1.26 -5.00 115.64 111.82 1f06 s THR 502 Ca 0.00 0.70 -0.17 0.00 -1.18 0.00 0.00 61.69 61.04 1f06 s THR 502 Cb 0.00 -3.45 -0.06 0.00 1.34 0.00 0.00 72.50 70.33 1f06 s THR 502 CO 0.00 0.07 1.05 0.20 -0.54 0.00 0.00 174.62 175.39 1f06 s ASN 503 N 0.96 6.04 -0.07 3.99 0.02 -1.26 -5.02 114.94 119.60 1f06 s ASN 503 Ca 0.65 1.85 -0.26 0.00 -1.02 0.00 0.00 52.86 54.08 1f06 s ASN 503 Cb -0.40 -2.54 -0.03 0.00 0.02 0.00 0.00 41.25 38.30 1f06 s ASN 503 CO 0.33 -0.99 0.83 -0.63 0.02 0.00 0.00 177.10 176.66 1f06 s ILE 504 N -2.28 4.94 -0.35 0.60 1.01 0.91 -4.88 121.20 121.16 1f06 s ILE 504 Ca 0.65 1.72 -0.22 0.00 0.00 0.00 0.00 60.65 62.80 1f06 s ILE 504 Cb -0.16 -4.17 0.01 0.00 0.01 0.00 0.00 42.46 38.15 1f06 s ILE 504 CO 0.30 0.16 0.72 -0.13 0.00 0.00 0.00 174.94 175.99 1f06 s ARG 505 N 1.19 3.74 0.11 2.79 0.52 -1.26 -1.03 118.95 125.02 1f06 s ARG 505 Ca 0.43 0.22 0.10 0.00 -0.52 0.00 0.00 55.73 55.96 1f06 s ARG 505 Cb -0.19 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.45 1f06 s ARG 505 CO 0.20 -0.78 -0.23 0.14 0.02 0.00 0.00 175.30 174.65 1f06 s VAL 506 N 2.91 2.50 0.07 3.52 -7.23 -0.19 0.58 120.40 122.56 1f06 s VAL 506 Ca 0.28 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1f06 s VAL 506 Cb -0.14 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 1f06 s VAL 506 CO 0.15 0.13 -0.10 0.00 -0.31 0.00 0.00 175.10 174.98 1f06 s ALA 507 N -1.07 0.87 -0.14 1.32 0.00 -0.78 -0.86 121.76 121.10 1f06 s ALA 507 Ca 0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 1f06 s ALA 507 Cb -0.10 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1f06 s ALA 507 CO 0.07 -0.01 0.00 0.42 0.00 0.00 0.00 175.76 176.25 1f06 s ILE 508 N -1.85 4.27 -0.35 0.00 1.01 -0.92 -0.56 121.20 122.80 1f06 s ILE 508 Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 1f06 s ILE 508 Cb -0.07 -2.87 0.07 0.00 0.01 0.00 0.00 42.46 39.61 1f06 s ILE 508 CO 0.00 0.51 0.09 -0.69 0.00 0.00 0.00 174.94 174.86 1f06 s VAL 509 N 0.03 3.21 0.00 2.92 1.01 0.11 0.07 120.40 127.75 1f06 s VAL 509 Ca 0.02 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.41 1f06 s VAL 509 Cb -0.13 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1f06 s VAL 509 CO 0.02 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.40 1f06 n GLY 510 N 4.64 1.37 2.78 4.51 0.00 -0.54 -0.01 105.19 117.94 1f06 n GLY 510 Ca -0.09 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1f06 n GLY 510 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1f06 n TYR 511 N 2.39 2.88 -1.00 1.61 9.36 -1.26 -4.08 117.16 127.05 1f06 n TYR 511 Ca 0.00 -3.12 0.00 0.00 3.32 0.00 0.00 57.90 58.10 1f06 n TYR 511 Cb 0.00 -0.99 0.00 0.00 -0.63 0.00 0.00 39.34 37.72 1f06 n TYR 511 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1f06 n GLY 512 N 0.78 3.02 0.10 2.98 0.00 -1.26 -4.79 105.19 106.02 1f06 n GLY 512 Ca 0.31 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 1f06 n GLY 512 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1f06 h ASN 513 N 0.00 0.19 -0.15 1.61 2.35 -1.93 -1.79 115.58 115.86 1f06 h ASN 513 Ca 0.00 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1f06 h ASN 513 Cb 0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1f06 h ASN 513 CO 0.00 0.19 0.08 0.25 -1.65 0.00 0.00 177.43 176.30 1f06 h LEU 514 N 0.17 0.19 -0.93 1.61 5.85 -1.88 -2.20 115.31 118.12 1f06 h LEU 514 Ca 0.06 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.75 1f06 h LEU 514 Cb 0.04 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 1f06 h LEU 514 CO -0.01 0.24 0.58 1.23 -0.34 0.00 0.00 178.44 180.14 1f06 h GLY 515 N 0.13 1.45 1.49 3.75 0.00 -1.68 -0.68 103.07 107.52 1f06 h GLY 515 Ca 0.05 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 1f06 h GLY 515 CO -0.01 0.23 -0.39 3.21 0.00 0.00 0.00 176.54 179.58 1f06 h ARG 516 N 1.00 0.57 -0.38 4.80 3.08 -1.17 -1.95 114.38 120.32 1f06 h ARG 516 Ca 0.43 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 1f06 h ARG 516 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1f06 h ARG 516 CO -0.21 0.86 0.02 0.77 -1.07 0.00 0.00 179.97 180.34 1f06 h SER 517 N 0.47 0.64 0.31 7.04 0.02 -0.65 -1.85 113.55 119.54 1f06 h SER 517 Ca 0.04 -0.29 -0.12 0.00 -0.84 0.00 0.00 61.79 60.57 1f06 h SER 517 Cb 0.89 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1f06 h SER 517 CO 0.08 0.78 -0.50 1.62 -1.14 0.00 0.00 176.83 177.67 1f06 h VAL 518 N 0.49 1.35 0.27 2.27 3.04 -1.10 -1.10 116.25 121.47 1f06 h VAL 518 Ca 0.11 -1.74 -0.01 0.00 -1.01 0.00 0.00 66.70 64.05 1f06 h VAL 518 Cb 0.44 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1f06 h VAL 518 CO 0.02 0.51 -0.13 -0.08 -1.01 0.00 0.00 177.57 176.88 1f06 h GLU 519 N 0.17 -0.35 -0.89 4.17 4.81 -1.21 -1.09 114.58 120.19 1f06 h GLU 519 Ca 0.01 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1f06 h GLU 519 Cb 0.95 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 1f06 h GLU 519 CO 0.08 -0.14 0.59 -0.22 -0.73 0.00 0.00 179.01 178.58 1f06 h LYS 520 N -0.50 1.15 0.00 1.92 3.64 -1.27 -3.02 116.57 118.48 1f06 h LYS 520 Ca -0.04 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1f06 h LYS 520 Cb 0.37 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1f06 h LYS 520 CO 0.06 0.76 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.87 1f06 h LEU 521 N 1.18 0.00 -1.73 5.20 4.07 -0.98 -3.25 115.31 119.80 1f06 h LEU 521 Ca 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.26 1f06 h LEU 521 Cb -0.09 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1f06 h LEU 521 CO -0.08 0.06 -0.17 0.40 -1.08 0.00 0.00 178.44 177.57 1f06 h ILE 522 N 0.00 0.86 0.00 1.22 2.04 -1.07 -1.85 117.51 118.71 1f06 h ILE 522 Ca -0.00 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1f06 h ILE 522 Cb 1.01 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1f06 h ILE 522 CO 0.01 0.17 -0.14 0.00 0.00 0.00 0.00 178.15 178.18 1f06 h ALA 523 N 1.83 1.27 -0.01 1.87 0.00 -1.69 -1.64 119.26 120.89 1f06 h ALA 523 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1f06 h ALA 523 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1f06 h ALA 523 CO 0.02 0.18 0.00 1.63 0.00 0.00 0.00 179.25 181.08 1f06 n LYS 524 N -3.65 1.23 -3.59 0.00 5.02 -0.70 -4.83 118.16 111.65 1f06 n LYS 524 Ca -0.02 -0.33 -0.37 0.00 -2.02 0.00 0.00 58.31 55.57 1f06 n LYS 524 Cb 0.27 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.72 1f06 n LYS 524 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1f06 s GLN 525 N -2.00 4.03 0.00 1.97 -1.52 -0.62 -4.98 119.66 116.54 1f06 s GLN 525 Ca 0.45 0.13 0.28 0.00 -1.95 0.00 0.00 55.36 54.27 1f06 s GLN 525 Cb 0.22 -3.34 1.10 0.00 -0.22 0.00 0.00 33.01 30.77 1f06 s GLN 525 CO 0.36 0.44 1.81 -0.35 -0.25 0.00 0.00 175.29 177.30 1f06 n PRO 526 N 2.88 0.14 -0.38 2.91 -0.04 -1.26 -4.07 135.00 135.18 1f06 n PRO 526 Ca -0.14 -0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.35 1f06 n PRO 526 Cb 0.52 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.58 1f06 n PRO 526 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1f06 n ASP 527 N -1.40 1.44 -4.09 3.54 5.75 -1.26 -4.99 116.55 115.54 1f06 n ASP 527 Ca 0.08 -2.77 -0.19 0.00 -0.01 0.00 0.00 54.79 51.90 1f06 n ASP 527 Cb 0.32 -0.36 -0.14 0.00 -1.03 0.00 0.00 41.12 39.91 1f06 n ASP 527 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1f06 s MET 528 N -1.81 0.87 -0.14 0.11 -1.94 -1.26 -0.06 119.30 115.07 1f06 s MET 528 Ca 0.23 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 1f06 s MET 528 Cb 0.21 -0.84 0.02 0.00 2.01 0.00 0.00 34.83 36.23 1f06 s MET 528 CO -0.01 0.22 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.55 1f06 s ASP 529 N -0.68 2.76 -0.43 3.03 1.01 -0.20 -4.90 116.67 117.26 1f06 s ASP 529 Ca 0.02 -0.52 -0.29 0.00 0.71 0.00 0.00 52.55 52.48 1f06 s ASP 529 Cb -0.06 -1.25 0.03 0.00 1.01 0.00 0.00 42.92 42.65 1f06 s ASP 529 CO 0.00 -0.01 1.10 -0.22 0.21 0.00 0.00 175.17 176.26 1f06 s LEU 530 N 1.22 3.74 0.07 1.23 0.20 -1.26 -1.02 118.68 122.86 1f06 s LEU 530 Ca 0.00 0.62 0.07 0.00 0.69 0.00 0.00 54.13 55.51 1f06 s LEU 530 Cb -0.14 -3.52 -0.22 0.00 -0.43 0.00 0.00 46.19 41.88 1f06 s LEU 530 CO -0.07 -1.13 1.10 -0.37 -0.29 0.00 0.00 176.35 175.59 1f06 h VAL 531 N 6.07 1.46 0.00 1.68 -1.51 -1.37 -3.48 116.25 119.10 1f06 h VAL 531 Ca -0.22 -3.20 0.00 0.00 -1.23 0.00 0.00 66.70 62.05 1f06 h VAL 531 Cb 1.06 2.74 0.00 0.00 -2.13 0.00 0.00 31.29 32.96 1f06 h VAL 531 CO 1.09 0.84 0.00 0.61 -1.23 0.00 0.00 177.57 178.89 1f06 n GLY 532 N 1.43 -2.10 3.12 5.19 0.00 -1.26 -4.67 105.19 106.90 1f06 n GLY 532 Ca -0.05 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 1f06 n GLY 532 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f06 s ILE 533 N -2.32 1.62 -0.40 -0.61 1.01 0.21 -2.17 121.20 118.55 1f06 s ILE 533 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 1f06 s ILE 533 Cb 0.00 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 41.05 1f06 s ILE 533 CO 0.00 0.46 0.28 -0.36 0.00 0.00 0.00 174.94 175.33 1f06 s PHE 534 N 0.60 3.24 0.16 3.97 0.08 0.11 0.94 117.98 127.08 1f06 s PHE 534 Ca -0.15 -0.56 0.05 0.00 0.12 0.00 0.00 56.93 56.40 1f06 s PHE 534 Cb -0.17 -2.56 -0.04 0.00 -0.57 0.00 0.00 43.02 39.68 1f06 s PHE 534 CO 0.05 -0.56 -0.11 0.45 -0.10 0.00 0.00 175.22 174.94 1f06 s SER 535 N 1.68 2.02 0.10 1.36 0.15 -0.37 -1.47 113.70 117.16 1f06 s SER 535 Ca 0.05 -1.01 0.26 0.00 0.70 0.00 0.00 55.95 55.94 1f06 s SER 535 Cb -0.19 -0.05 0.71 0.00 -1.71 0.00 0.00 66.02 64.79 1f06 s SER 535 CO 0.10 -0.28 1.61 0.54 1.20 0.00 0.00 173.24 176.40 1f06 n ARG 536 N -0.25 0.16 -4.08 5.44 1.74 -1.26 -2.73 116.66 115.68 1f06 n ARG 536 Ca -0.10 0.09 -0.34 0.00 -0.77 0.00 0.00 57.85 56.73 1f06 n ARG 536 Cb 0.61 -1.64 -0.07 0.00 -1.02 0.00 0.00 32.46 30.33 1f06 n ARG 536 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1f06 s ARG 537 N -3.08 3.15 0.03 5.56 0.52 -1.26 -5.03 118.95 118.85 1f06 s ARG 537 Ca 0.10 -0.41 -0.14 0.00 -0.52 0.00 0.00 55.73 54.76 1f06 s ARG 537 Cb 0.15 -2.93 -0.35 0.00 0.52 0.00 0.00 34.95 32.35 1f06 s ARG 537 CO 0.64 0.68 1.00 0.00 0.02 0.00 0.00 175.30 177.63 1f06 h ALA 538 N 4.30 -0.12 -2.98 2.13 0.00 -1.97 -3.44 119.26 117.18 1f06 h ALA 538 Ca -0.50 -0.88 -0.70 0.00 0.00 0.00 0.00 54.91 52.83 1f06 h ALA 538 Cb 1.19 0.18 -0.26 0.00 0.00 0.00 0.00 17.79 18.89 1f06 h ALA 538 CO 0.62 0.74 -0.57 0.99 0.00 0.00 0.00 179.25 181.03 1f06 s THR 539 N -2.61 4.17 0.10 0.00 2.01 -1.26 -5.02 115.64 113.04 1f06 s THR 539 Ca -0.09 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.04 1f06 s THR 539 Cb 0.04 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1f06 s THR 539 CO 0.94 -0.17 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.77 1f06 s LEU 540 N 1.48 2.75 -1.30 4.42 1.02 -1.26 -5.05 118.68 120.74 1f06 s LEU 540 Ca 0.00 -0.50 -0.11 0.00 0.02 0.00 0.00 54.13 53.54 1f06 s LEU 540 Cb -0.19 -1.59 0.14 0.00 0.02 0.00 0.00 46.19 44.57 1f06 s LEU 540 CO 0.05 0.19 1.86 -0.67 0.02 0.00 0.00 176.35 177.80 1f06 n ASP 541 N 0.90 4.91 -3.51 2.29 2.03 -1.26 -4.88 116.55 117.04 1f06 n ASP 541 Ca -0.15 -3.04 -0.14 0.00 0.52 0.00 0.00 54.79 51.97 1f06 n ASP 541 Cb 0.53 -1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 39.35 1f06 n ASP 541 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1f06 s THR 542 N 1.12 0.00 -1.10 5.18 -1.32 -1.26 -5.02 115.64 113.24 1f06 s THR 542 Ca 0.42 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.17 1f06 s THR 542 Cb 0.08 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.22 1f06 s THR 542 CO -0.01 0.00 1.65 0.29 -2.21 0.00 0.00 174.62 174.34 1f06 n LYS 543 N 0.48 0.11 -2.32 7.08 4.76 -1.26 -4.86 118.16 122.14 1f06 n LYS 543 Ca -0.15 -0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 54.83 1f06 n LYS 543 Cb 0.59 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.25 1f06 n LYS 543 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1f06 s THR 544 N -2.92 3.29 0.24 -0.18 2.01 -1.26 -4.95 115.64 111.87 1f06 s THR 544 Ca 0.14 1.18 -0.31 0.00 0.31 0.00 0.00 61.69 63.01 1f06 s THR 544 Cb 0.18 -3.75 -0.13 0.00 0.01 0.00 0.00 72.50 68.81 1f06 s THR 544 CO 0.61 0.23 1.46 -2.65 -0.69 0.00 0.00 174.62 173.58 1f06 n PRO 545 N 1.79 2.16 -4.62 4.92 -0.02 -1.26 -4.80 135.00 133.17 1f06 n PRO 545 Ca 0.02 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 61.93 1f06 n PRO 545 Cb 0.44 -2.46 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 1f06 n PRO 545 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1f06 s VAL 546 N 0.05 3.73 0.15 -1.45 1.01 -1.26 -0.61 120.40 122.01 1f06 s VAL 546 Ca 0.68 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1f06 s VAL 546 Cb -0.62 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1f06 s VAL 546 CO 0.48 0.60 -0.11 -0.36 0.00 0.00 0.00 175.10 175.71 1f06 s PHE 547 N -0.80 1.32 -0.01 5.22 0.40 0.27 -4.90 117.98 119.47 1f06 s PHE 547 Ca 0.12 -0.72 -0.30 0.00 -0.60 0.00 0.00 56.93 55.43 1f06 s PHE 547 Cb -0.11 -0.66 -0.03 0.00 0.51 0.00 0.00 43.02 42.72 1f06 s PHE 547 CO 0.01 0.12 1.08 0.34 0.70 0.00 0.00 175.22 177.47 1f06 s ASP 548 N -3.12 7.22 0.65 1.36 3.68 -1.26 -1.24 116.67 123.96 1f06 s ASP 548 Ca 0.16 1.75 0.29 0.00 2.13 0.00 0.00 52.55 56.89 1f06 s ASP 548 Cb 0.01 -2.57 1.58 0.00 -1.45 0.00 0.00 42.92 40.50 1f06 s ASP 548 CO 0.01 -0.40 1.91 -0.37 0.13 0.00 0.00 175.17 176.45 1f06 h VAL 549 N 4.82 0.08 0.00 1.11 -1.51 -1.80 0.28 116.25 119.23 1f06 h VAL 549 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1f06 h VAL 549 Cb 1.20 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1f06 h VAL 549 CO 0.81 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.15 1f06 h ALA 550 N 1.35 1.00 -0.60 5.19 0.00 -1.90 -3.23 119.26 121.08 1f06 h ALA 550 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1f06 h ALA 550 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1f06 h ALA 550 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1f06 n ASP 551 N -2.60 5.28 -0.23 0.00 10.43 0.97 -4.54 116.55 125.86 1f06 n ASP 551 Ca 0.03 -2.72 -0.03 0.00 2.57 0.00 0.00 54.79 54.65 1f06 n ASP 551 Cb 0.36 -0.64 0.09 0.00 1.84 0.00 0.00 41.12 42.77 1f06 n ASP 551 CO 0.00 0.00 0.00 -0.37 -1.07 0.00 0.00 177.20 175.76 1f06 h VAL 552 N 4.00 1.01 -0.20 2.53 -1.51 -1.66 -1.73 116.25 118.68 1f06 h VAL 552 Ca 0.00 -0.25 0.06 0.00 -1.23 0.00 0.00 66.70 65.28 1f06 h VAL 552 Cb 1.74 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1f06 h VAL 552 CO 0.37 0.13 0.25 -2.24 -1.23 0.00 0.00 177.57 174.86 1f06 h ASP 553 N 0.72 0.00 0.29 4.19 -0.00 -1.88 0.34 116.42 120.08 1f06 h ASP 553 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.31 1f06 h ASP 553 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.45 1f06 h ASP 553 CO -0.15 0.00 -0.13 0.29 -0.00 0.00 0.00 179.24 179.25 1f06 n LYS 554 N -3.65 0.82 0.00 4.15 5.02 -0.65 -3.65 118.16 120.19 1f06 n LYS 554 Ca 0.02 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 1f06 n LYS 554 Cb 0.38 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1f06 n LYS 554 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1f06 n HIS 555 N -0.79 0.00 -0.04 2.13 8.25 0.08 -4.81 115.22 120.04 1f06 n HIS 555 Ca 0.15 -0.29 0.25 0.00 -0.26 0.00 0.00 57.72 57.57 1f06 n HIS 555 Cb 0.29 -0.03 0.67 0.00 1.12 0.00 0.00 29.99 32.05 1f06 n HIS 555 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1f06 h ALA 556 N 0.00 2.47 -0.20 -1.41 0.00 -1.55 0.29 119.26 118.86 1f06 h ALA 556 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1f06 h ALA 556 Cb 0.40 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1f06 h ALA 556 CO 0.00 -1.05 0.00 -0.25 0.00 0.00 0.00 179.25 177.95 1f06 n ASP 557 N -3.66 3.21 -0.40 0.00 10.43 -1.26 -4.17 116.55 120.71 1f06 n ASP 557 Ca 0.14 -1.99 0.06 0.00 2.57 0.00 0.00 54.79 55.57 1f06 n ASP 557 Cb 0.94 -0.12 0.03 0.00 1.84 0.00 0.00 41.12 43.81 1f06 n ASP 557 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1f06 n ASP 558 N 1.41 1.75 -4.04 -2.24 8.00 1.00 -4.98 116.55 117.45 1f06 n ASP 558 Ca 0.16 -1.37 -0.22 0.00 0.71 0.00 0.00 54.79 54.08 1f06 n ASP 558 Cb 0.60 0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 41.71 1f06 n ASP 558 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1f06 s VAL 559 N -1.16 0.94 -0.20 2.53 1.01 -1.12 -4.83 120.40 117.58 1f06 s VAL 559 Ca 0.12 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1f06 s VAL 559 Cb 0.10 -0.82 -0.20 0.00 0.00 0.00 0.00 36.38 35.45 1f06 s VAL 559 CO 0.20 0.28 0.08 0.47 0.00 0.00 0.00 175.10 176.13 1f06 n ASP 560 N 3.14 2.01 -3.87 3.32 10.43 0.20 -4.87 116.55 126.91 1f06 n ASP 560 Ca -0.17 0.18 -0.15 0.00 2.57 0.00 0.00 54.79 57.22 1f06 n ASP 560 Cb 0.54 -0.76 -0.15 0.00 1.84 0.00 0.00 41.12 42.59 1f06 n ASP 560 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1f06 s VAL 561 N -2.50 0.15 -0.27 2.53 0.11 -0.95 -2.36 120.40 117.11 1f06 s VAL 561 Ca -0.29 -0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.67 1f06 s VAL 561 Cb 0.08 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.73 1f06 s VAL 561 CO 0.65 0.08 0.10 -0.76 -3.33 0.00 0.00 175.10 171.84 1f06 s LEU 562 N 0.38 3.65 -0.46 2.54 1.02 0.81 -1.87 118.68 124.75 1f06 s LEU 562 Ca -0.03 -0.24 -0.23 0.00 0.02 0.00 0.00 54.13 53.65 1f06 s LEU 562 Cb -0.06 -1.97 0.03 0.00 0.02 0.00 0.00 46.19 44.21 1f06 s LEU 562 CO -0.01 -0.07 0.78 -0.36 0.02 0.00 0.00 176.35 176.71 1f06 s PHE 563 N 1.64 2.99 -0.49 0.29 0.40 0.27 -1.98 117.98 121.09 1f06 s PHE 563 Ca 0.06 0.10 -0.27 0.00 -0.60 0.00 0.00 56.93 56.22 1f06 s PHE 563 Cb -0.16 -3.66 0.03 0.00 0.51 0.00 0.00 43.02 39.75 1f06 s PHE 563 CO 0.05 -1.01 1.06 -0.51 0.70 0.00 0.00 175.22 175.51 1f06 s LEU 564 N 3.27 3.77 -0.18 -0.37 1.43 -0.25 -0.71 118.68 125.64 1f06 s LEU 564 Ca 0.29 0.24 0.16 0.00 -1.03 0.00 0.00 54.13 53.78 1f06 s LEU 564 Cb -0.13 -3.33 0.41 0.00 0.03 0.00 0.00 46.19 43.17 1f06 s LEU 564 CO 0.22 -1.21 1.29 0.00 0.23 0.00 0.00 176.35 176.87 1f06 s MET 566 N -2.98 1.81 0.26 0.00 0.23 -1.21 -4.61 119.30 112.80 1f06 s MET 566 Ca 0.38 -0.14 -0.30 0.00 -1.03 0.00 0.00 55.69 54.60 1f06 s MET 566 Cb 0.33 -2.02 -0.10 0.00 -1.53 0.00 0.00 34.83 31.51 1f06 s MET 566 CO 0.03 -1.61 1.45 0.20 -2.03 0.00 0.00 175.02 173.05 1f06 s GLY 567 N -4.62 2.37 0.13 3.16 0.00 -1.26 -4.74 107.32 102.37 1f06 s GLY 567 Ca 0.64 1.35 -0.12 0.00 0.00 0.00 0.00 44.72 46.58 1f06 s GLY 567 CO 0.48 2.28 1.50 1.76 0.00 0.00 0.00 173.10 179.12 1f06 h SER 568 N 4.85 0.89 -0.72 1.64 0.02 -1.95 -0.77 113.55 117.52 1f06 h SER 568 Ca -0.46 -0.42 0.16 0.00 -0.84 0.00 0.00 61.79 60.23 1f06 h SER 568 Cb 1.22 -0.25 -0.12 0.00 0.14 0.00 0.00 62.40 63.39 1f06 h SER 568 CO 0.77 1.12 0.00 0.00 -1.14 0.00 0.00 176.83 177.58 1f06 h ALA 569 N 0.81 0.74 0.00 3.77 0.00 -1.92 -3.39 119.26 119.27 1f06 h ALA 569 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1f06 h ALA 569 Cb 0.80 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1f06 h ALA 569 CO 0.07 -0.41 -0.55 0.25 0.00 0.00 0.00 179.25 178.60 1f06 n THR 570 N -5.33 0.00 0.37 0.00 -2.24 -1.25 -4.92 114.28 100.92 1f06 n THR 570 Ca 0.12 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.72 1f06 n THR 570 Cb 0.44 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.63 1f06 n THR 570 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1f06 h ASP 571 N 0.00 -1.20 -0.54 3.42 3.32 -1.68 -3.31 116.42 116.43 1f06 h ASP 571 Ca 0.00 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.19 1f06 h ASP 571 Cb 0.55 0.36 -0.10 0.00 0.22 0.00 0.00 39.33 40.37 1f06 h ASP 571 CO 0.00 -0.69 -0.52 0.40 -1.72 0.00 0.00 179.24 176.71 1f06 h ILE 572 N -1.09 0.03 -0.84 0.35 1.08 -1.34 -0.04 117.51 115.67 1f06 h ILE 572 Ca -0.09 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.60 1f06 h ILE 572 Cb 0.89 0.03 -0.14 0.00 -3.07 0.00 0.00 36.82 34.53 1f06 h ILE 572 CO 0.05 0.00 0.14 -0.65 -0.69 0.00 0.00 178.15 177.00 1f06 h PRO 573 N -0.29 0.16 0.05 2.37 0.11 -1.77 -1.64 132.00 130.99 1f06 h PRO 573 Ca 0.12 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.89 1f06 h PRO 573 Cb 0.56 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.60 1f06 h PRO 573 CO -0.67 0.10 -1.89 -0.85 -0.21 0.00 0.00 178.00 174.49 1f06 n GLU 574 N -5.28 0.69 -0.03 1.05 0.28 -1.02 -4.64 120.64 111.69 1f06 n GLU 574 Ca 0.18 0.26 -0.20 0.00 -0.16 0.00 0.00 57.16 57.25 1f06 n GLU 574 Cb 0.60 -1.74 -0.13 0.00 1.43 0.00 0.00 31.44 31.60 1f06 n GLU 574 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1f06 h GLN 575 N 0.03 0.14 -0.89 3.44 4.20 -0.88 -3.41 115.11 117.74 1f06 h GLN 575 Ca -0.37 -0.24 0.14 0.00 0.06 0.00 0.00 58.65 58.24 1f06 h GLN 575 Cb 2.03 0.09 -0.14 0.00 0.30 0.00 0.00 27.48 29.76 1f06 h GLN 575 CO 0.07 1.12 -0.35 0.00 -0.67 0.00 0.00 178.83 179.00 1f06 n ALA 576 N -3.00 -0.11 -0.05 3.87 0.00 -0.63 -1.03 120.51 119.57 1f06 n ALA 576 Ca -0.23 0.89 0.14 0.00 0.00 0.00 0.00 53.44 54.23 1f06 n ALA 576 Cb 0.77 -0.40 0.55 0.00 0.00 0.00 0.00 19.45 20.37 1f06 n ALA 576 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1f06 h PRO 577 N 0.00 0.28 -0.54 0.00 0.11 -1.80 -1.99 132.00 128.06 1f06 h PRO 577 Ca 0.31 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.31 1f06 h PRO 577 Cb 0.53 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1f06 h PRO 577 CO -0.88 0.19 -0.01 -0.22 -0.21 0.00 0.00 178.00 176.86 1f06 h LYS 578 N 0.29 0.96 0.00 1.05 3.11 -1.34 -3.10 116.57 117.55 1f06 h LYS 578 Ca 0.27 -0.31 -0.07 0.00 -2.81 0.00 0.00 60.65 57.72 1f06 h LYS 578 Cb 0.65 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.79 1f06 h LYS 578 CO -0.06 0.98 -0.32 0.74 -2.81 0.00 0.00 179.45 177.98 1f06 h PHE 579 N 0.84 0.00 0.00 1.91 -1.00 -1.36 -3.00 116.94 114.33 1f06 h PHE 579 Ca 0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1f06 h PHE 579 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 1f06 h PHE 579 CO 0.04 0.32 0.00 0.00 -1.61 0.00 0.00 178.31 177.06 1f06 h ALA 580 N 1.68 1.00 -0.00 2.45 0.00 -1.44 -1.35 119.26 121.60 1f06 h ALA 580 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f06 h ALA 580 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1f06 h ALA 580 CO 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 179.25 179.02 1f06 n GLN 581 N -2.41 0.34 -0.01 0.00 10.64 -1.13 -4.11 117.38 120.69 1f06 n GLN 581 Ca -0.01 -0.16 0.06 0.00 -1.83 0.00 0.00 57.00 55.07 1f06 n GLN 581 Cb 0.10 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 27.88 1f06 n GLN 581 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1f06 n PHE 582 N -1.20 0.00 -3.91 2.61 3.72 -0.51 -4.90 117.46 113.28 1f06 n PHE 582 Ca 0.09 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.53 1f06 n PHE 582 Cb 0.32 -0.31 0.01 0.00 -0.94 0.00 0.00 39.48 38.57 1f06 n PHE 582 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1f06 s ALA 583 N -2.88 -2.55 0.42 4.37 0.00 -1.20 -4.73 121.76 115.19 1f06 s ALA 583 Ca -0.05 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.93 1f06 s ALA 583 Cb 0.08 0.77 -0.08 0.00 0.00 0.00 0.00 23.12 23.89 1f06 s ALA 583 CO 0.54 -1.14 1.26 0.00 0.00 0.00 0.00 175.76 176.42 1f06 s THR 585 N -1.33 1.47 -0.05 0.00 -4.23 -0.90 -0.13 115.64 110.48 1f06 s THR 585 Ca 0.59 -1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1f06 s THR 585 Cb -0.36 -1.46 0.03 0.00 1.34 0.00 0.00 72.50 72.05 1f06 s THR 585 CO 0.45 -0.23 0.03 -0.69 -0.54 0.00 0.00 174.62 173.64 1f06 s VAL 586 N -1.56 0.10 0.31 2.29 1.01 -0.84 -0.31 120.40 121.39 1f06 s VAL 586 Ca 0.06 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1f06 s VAL 586 Cb -0.08 -0.28 -0.06 0.00 0.00 0.00 0.00 36.38 35.95 1f06 s VAL 586 CO 0.04 0.19 -0.01 1.51 0.00 0.00 0.00 175.10 176.83 1f06 s ASP 587 N 1.79 2.69 -0.21 3.32 -4.77 -0.73 -1.09 116.67 117.67 1f06 s ASP 587 Ca 0.01 -1.27 0.12 0.00 -3.30 0.00 0.00 52.55 48.10 1f06 s ASP 587 Cb -0.12 -0.15 0.42 0.00 -1.09 0.00 0.00 42.92 41.97 1f06 s ASP 587 CO -0.03 -0.45 1.25 0.35 0.70 0.00 0.00 175.17 176.98 1f06 n THR 588 N -0.65 2.22 -1.70 2.11 -2.24 -1.26 -1.10 114.28 111.66 1f06 n THR 588 Ca -0.04 -3.05 -0.62 0.00 -2.27 0.00 0.00 64.05 58.06 1f06 n THR 588 Cb 0.65 -0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.54 1f06 n THR 588 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f06 n TYR 589 N -1.15 1.71 -0.07 4.78 -0.00 -1.26 -4.62 117.16 116.55 1f06 n TYR 589 Ca 0.20 0.89 0.06 0.00 -0.00 0.00 0.00 57.90 59.06 1f06 n TYR 589 Cb 0.73 -2.30 0.14 0.00 -0.00 0.00 0.00 39.34 37.91 1f06 n TYR 589 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1f06 n ASP 590 N 4.07 2.79 -4.52 2.98 5.68 -1.26 -4.36 116.55 121.92 1f06 n ASP 590 Ca 0.27 -1.91 -0.42 0.00 -0.50 0.00 0.00 54.79 52.23 1f06 n ASP 590 Cb 0.04 -0.20 -0.02 0.00 -1.14 0.00 0.00 41.12 39.80 1f06 n ASP 590 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1f06 s ASN 591 N -0.99 6.66 0.24 -1.12 3.84 -1.26 -4.81 114.94 117.49 1f06 s ASN 591 Ca 0.22 -1.95 -0.10 0.00 0.21 0.00 0.00 52.86 51.24 1f06 s ASN 591 Cb 0.12 -2.51 0.36 0.00 -0.55 0.00 0.00 41.25 38.67 1f06 s ASN 591 CO 0.16 -1.25 1.61 0.45 -2.79 0.00 0.00 177.10 175.28 1f06 h HIS 592 N 8.86 -0.30 0.00 0.43 3.86 -1.98 0.14 115.15 126.17 1f06 h HIS 592 Ca 0.25 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1f06 h HIS 592 Cb 0.97 0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1f06 h HIS 592 CO 1.26 -0.31 0.00 0.54 0.86 0.00 0.00 177.93 180.28 1f06 n ARG 593 N -5.46 0.15 0.00 2.45 1.74 -1.26 -2.15 116.66 112.14 1f06 n ARG 593 Ca 0.12 0.18 0.03 0.00 -0.77 0.00 0.00 57.85 57.41 1f06 n ARG 593 Cb 0.42 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.37 1f06 n ARG 593 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1f06 n ASP 594 N -1.31 1.04 -0.10 0.55 2.03 0.43 -4.75 116.55 114.45 1f06 n ASP 594 Ca 0.05 -1.02 -0.07 0.00 0.52 0.00 0.00 54.79 54.28 1f06 n ASP 594 Cb 0.10 0.36 0.01 0.00 -0.72 0.00 0.00 41.12 40.87 1f06 n ASP 594 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1f06 h ILE 595 N 0.74 0.89 -0.78 5.18 2.04 -0.90 -1.05 117.51 123.63 1f06 h ILE 595 Ca 0.00 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 65.87 1f06 h ILE 595 Cb 0.20 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 1f06 h ILE 595 CO 0.00 0.05 0.43 -0.65 0.00 0.00 0.00 178.15 177.97 1f06 h PRO 596 N 0.25 0.69 -0.14 2.37 0.11 -1.85 0.32 132.00 133.74 1f06 h PRO 596 Ca 0.15 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1f06 h PRO 596 Cb 0.14 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1f06 h PRO 596 CO -0.17 0.46 -0.01 -0.09 -0.21 0.00 0.00 178.00 177.99 1f06 h ARG 597 N 0.71 0.26 -0.30 1.05 2.43 -1.82 -2.26 114.38 114.45 1f06 h ARG 597 Ca 0.38 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 1f06 h ARG 597 Cb 0.38 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1f06 h ARG 597 CO -0.26 0.50 -0.02 1.25 -1.51 0.00 0.00 179.97 179.93 1f06 h HIS 598 N -0.01 -0.06 -0.44 2.20 2.76 -0.60 -1.35 115.15 117.64 1f06 h HIS 598 Ca 0.04 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1f06 h HIS 598 Cb 0.39 0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.38 1f06 h HIS 598 CO 0.04 -0.08 0.20 -0.09 -1.30 0.00 0.00 177.93 176.70 1f06 h ARG 599 N 0.06 0.39 -0.61 5.26 2.43 -0.92 0.16 114.38 121.15 1f06 h ARG 599 Ca 0.14 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1f06 h ARG 599 Cb 0.20 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1f06 h ARG 599 CO -0.26 0.26 0.37 1.96 -1.51 0.00 0.00 179.97 180.78 1f06 h GLN 600 N 0.40 0.83 -0.23 0.20 4.20 -1.00 0.15 115.11 119.66 1f06 h GLN 600 Ca 0.20 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 1f06 h GLN 600 Cb 0.13 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1f06 h GLN 600 CO -0.16 0.59 -0.04 0.28 -0.67 0.00 0.00 178.83 178.84 1f06 h VAL 601 N 0.83 1.28 -0.21 -0.54 2.07 -0.89 -2.65 116.25 116.14 1f06 h VAL 601 Ca 0.22 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 1f06 h VAL 601 Cb -0.02 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1f06 h VAL 601 CO -0.04 0.31 -0.17 0.24 0.02 0.00 0.00 177.57 177.93 1f06 h MET 602 N 0.19 0.35 -0.49 1.57 2.86 -0.51 -2.92 114.93 115.97 1f06 h MET 602 Ca 0.06 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1f06 h MET 602 Cb 0.48 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1f06 h MET 602 CO 0.02 0.51 0.07 -0.97 1.06 0.00 0.00 176.91 177.60 1f06 h ASN 603 N 0.32 0.78 -0.42 1.22 -1.24 -0.57 -0.06 115.58 115.61 1f06 h ASN 603 Ca 0.06 -0.26 -0.03 0.00 0.71 0.00 0.00 56.30 56.78 1f06 h ASN 603 Cb 0.49 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 1f06 h ASN 603 CO 0.03 0.85 0.15 -0.33 -1.29 0.00 0.00 177.43 176.84 1f06 h GLU 604 N 0.68 0.64 -0.05 6.67 5.08 -1.36 -0.12 114.58 126.12 1f06 h GLU 604 Ca 0.15 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1f06 h GLU 604 Cb 0.40 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1f06 h GLU 604 CO 0.01 0.61 0.00 0.00 -1.00 0.00 0.00 179.01 178.63 1f06 h ALA 605 N 1.00 0.06 -0.41 3.43 0.00 -1.40 -2.40 119.26 119.54 1f06 h ALA 605 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1f06 h ALA 605 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1f06 h ALA 605 CO -0.01 -0.27 0.13 0.00 0.00 0.00 0.00 179.25 179.10 1f06 h ALA 606 N 0.72 0.54 -0.44 0.00 0.00 -0.97 -2.44 119.26 116.67 1f06 h ALA 606 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1f06 h ALA 606 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1f06 h ALA 606 CO 0.00 0.19 0.28 1.15 0.00 0.00 0.00 179.25 180.87 1f06 h THR 607 N 0.52 1.13 -0.65 0.00 2.02 -1.05 0.25 112.91 115.13 1f06 h THR 607 Ca 0.13 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1f06 h THR 607 Cb 0.26 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1f06 h THR 607 CO -0.00 0.12 0.41 0.00 0.37 0.00 0.00 175.52 176.42 1f06 h ALA 608 N 1.15 0.83 0.00 6.16 0.00 -1.34 -2.45 119.26 123.60 1f06 h ALA 608 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1f06 h ALA 608 Cb -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1f06 h ALA 608 CO -0.03 0.29 -0.15 0.00 0.00 0.00 0.00 179.25 179.35 1f06 n ALA 609 N -2.29 2.61 -1.45 0.00 0.00 -0.93 -4.94 120.51 113.51 1f06 n ALA 609 Ca 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1f06 n ALA 609 Cb 0.04 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 1f06 n ALA 609 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f06 n GLY 610 N 1.45 0.43 3.88 0.00 0.00 0.63 -5.02 105.19 106.56 1f06 n GLY 610 Ca 0.06 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 1f06 n GLY 610 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f06 s ASN 611 N -2.95 4.77 -0.15 1.61 0.01 0.15 -4.83 114.94 113.55 1f06 s ASN 611 Ca 0.00 -1.03 -0.01 0.00 -0.71 0.00 0.00 52.86 51.11 1f06 s ASN 611 Cb 0.00 -0.05 -0.01 0.00 0.41 0.00 0.00 41.25 41.59 1f06 s ASN 611 CO 0.00 -0.88 -0.12 -0.69 -1.51 0.00 0.00 177.10 173.90 1f06 s VAL 612 N -2.64 3.04 -0.22 1.60 1.01 -1.26 -0.51 120.40 121.42 1f06 s VAL 612 Ca 0.41 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1f06 s VAL 612 Cb -0.02 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 1f06 s VAL 612 CO 0.25 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.79 1f06 s ALA 613 N 0.64 2.74 -0.37 5.51 0.00 0.90 -2.11 121.76 129.07 1f06 s ALA 613 Ca -0.07 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.55 1f06 s ALA 613 Cb -0.15 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1f06 s ALA 613 CO 0.03 -0.46 0.31 -0.51 0.00 0.00 0.00 175.76 175.13 1f06 s LEU 614 N 1.44 4.73 0.06 0.00 2.01 0.57 -0.68 118.68 126.81 1f06 s LEU 614 Ca 0.05 -0.57 0.02 0.00 0.01 0.00 0.00 54.13 53.65 1f06 s LEU 614 Cb -0.14 -2.22 -0.04 0.00 0.01 0.00 0.00 46.19 43.80 1f06 s LEU 614 CO -0.05 -0.37 0.09 0.68 1.01 0.00 0.00 176.35 177.71 1f06 s VAL 615 N 1.82 4.64 -1.24 -1.59 -7.23 -0.47 -1.77 120.40 114.56 1f06 s VAL 615 Ca 0.08 -0.65 -0.03 0.00 -1.81 0.00 0.00 61.98 59.57 1f06 s VAL 615 Cb -0.18 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.55 1f06 s VAL 615 CO 0.11 0.19 0.79 -1.20 -0.31 0.00 0.00 175.10 174.67 1f06 n SER 616 N 0.64 -2.41 -4.49 4.85 7.64 -1.11 -4.25 113.62 114.49 1f06 n SER 616 Ca -0.09 -0.79 -0.23 0.00 1.01 0.00 0.00 58.87 58.76 1f06 n SER 616 Cb 0.52 -4.30 0.13 0.00 -1.01 0.00 0.00 64.21 59.54 1f06 n SER 616 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1f06 n THR 617 N -4.11 0.00 0.00 0.44 -2.24 -0.26 -3.48 114.28 104.63 1f06 n THR 617 Ca -0.25 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.00 1f06 n THR 617 Cb 0.66 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1f06 n THR 617 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f06 n GLY 618 N -2.73 0.21 0.02 3.38 0.00 -1.17 -4.34 105.19 100.58 1f06 n GLY 618 Ca 0.16 -1.91 0.02 0.00 0.00 0.00 0.00 46.02 44.30 1f06 n GLY 618 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1f06 n TRP 619 N 0.65 0.00 -3.13 1.61 4.27 -1.26 -1.68 117.44 117.90 1f06 n TRP 619 Ca 0.00 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.66 1f06 n TRP 619 Cb 0.00 -0.40 0.00 0.00 -1.36 0.00 0.00 31.31 29.55 1f06 n TRP 619 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1f06 s ASP 620 N -3.85 -0.69 0.80 -0.67 2.15 -1.26 0.17 116.67 113.32 1f06 s ASP 620 Ca -0.05 0.05 -0.12 0.00 0.43 0.00 0.00 52.55 52.86 1f06 s ASP 620 Cb 0.07 1.40 0.08 0.00 -0.30 0.00 0.00 42.92 44.17 1f06 s ASP 620 CO 0.54 -0.12 1.16 -2.16 -0.17 0.00 0.00 175.17 174.41 1f06 s PRO 621 N 2.86 1.77 0.00 4.34 0.04 -1.26 -4.94 135.00 137.80 1f06 s PRO 621 Ca 0.23 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1f06 s PRO 621 Cb -0.03 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1f06 s PRO 621 CO -0.23 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.15 1f06 n GLY 622 N -0.02 0.64 0.23 0.56 0.00 -1.23 -3.02 105.19 102.35 1f06 n GLY 622 Ca 0.12 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 1f06 n GLY 622 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1f06 h MET 623 N 0.00 0.38 -0.78 1.61 2.86 -1.23 -1.81 114.93 115.96 1f06 h MET 623 Ca 0.00 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1f06 h MET 623 Cb 0.00 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1f06 h MET 623 CO 0.00 0.25 0.38 0.74 1.06 0.00 0.00 176.91 179.34 1f06 h PHE 624 N 0.40 1.12 -0.70 -0.22 0.05 -0.58 -2.17 116.94 114.83 1f06 h PHE 624 Ca 0.29 -0.05 -0.04 0.00 3.82 0.00 0.00 57.97 61.99 1f06 h PHE 624 Cb 0.34 -0.35 -0.03 0.00 2.00 0.00 0.00 35.95 37.91 1f06 h PHE 624 CO -0.17 0.81 0.27 0.77 -0.18 0.00 0.00 178.31 179.81 1f06 h SER 625 N 1.11 0.97 -0.13 2.17 0.02 -1.56 -0.56 113.55 115.57 1f06 h SER 625 Ca 0.27 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1f06 h SER 625 Cb 0.11 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1f06 h SER 625 CO -0.03 0.87 -0.01 0.40 -1.14 0.00 0.00 176.83 176.92 1f06 h ILE 626 N 1.02 1.26 -0.44 3.27 2.04 -1.13 -2.59 117.51 120.95 1f06 h ILE 626 Ca 0.24 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 1f06 h ILE 626 Cb 0.22 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1f06 h ILE 626 CO -0.02 0.24 -0.04 -1.13 0.00 0.00 0.00 178.15 177.21 1f06 h ASN 627 N -0.05 0.71 -0.32 1.72 -0.73 -1.22 -1.48 115.58 114.22 1f06 h ASN 627 Ca 0.03 -0.18 0.03 0.00 1.87 0.00 0.00 56.30 58.05 1f06 h ASN 627 Cb 0.38 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.75 1f06 h ASN 627 CO 0.01 0.81 0.14 0.03 -0.37 0.00 0.00 177.43 178.04 1f06 h ARG 628 N 0.69 0.28 -0.30 6.67 3.08 -1.05 -0.72 114.38 123.04 1f06 h ARG 628 Ca 0.13 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.01 1f06 h ARG 628 Cb 0.48 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1f06 h ARG 628 CO 0.02 0.19 -0.42 0.28 -1.07 0.00 0.00 179.97 178.97 1f06 h VAL 629 N 0.29 1.29 0.14 2.04 2.07 -1.30 -2.42 116.25 118.37 1f06 h VAL 629 Ca 0.14 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1f06 h VAL 629 Cb 0.08 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1f06 h VAL 629 CO -0.11 0.52 -0.07 1.88 0.02 0.00 0.00 177.57 179.81 1f06 h TYR 630 N 0.58 -0.18 -0.56 1.57 0.99 -1.13 -1.49 116.97 116.75 1f06 h TYR 630 Ca 0.03 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.71 1f06 h TYR 630 Cb 1.01 0.06 -0.03 0.00 1.00 0.00 0.00 36.73 38.78 1f06 h TYR 630 CO 0.07 0.03 0.15 0.00 -0.00 0.00 0.00 178.16 178.42 1f06 h ALA 631 N 0.47 1.21 -0.01 3.88 0.00 -1.20 -2.28 119.26 121.33 1f06 h ALA 631 Ca -0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1f06 h ALA 631 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1f06 h ALA 631 CO 0.03 0.55 -0.77 0.00 0.00 0.00 0.00 179.25 179.05 1f06 h ALA 632 N 1.34 0.67 -0.28 0.00 0.00 -1.43 -2.30 119.26 117.26 1f06 h ALA 632 Ca 0.18 -0.67 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 1f06 h ALA 632 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1f06 h ALA 632 CO -0.00 0.88 -0.52 0.00 0.00 0.00 0.00 179.25 179.60 1f06 h ALA 633 N 1.11 0.45 0.13 0.00 0.00 -1.04 -3.32 119.26 116.58 1f06 h ALA 633 Ca -0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1f06 h ALA 633 Cb 1.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1f06 h ALA 633 CO 0.11 0.64 -0.06 0.28 0.00 0.00 0.00 179.25 180.23 1f06 h VAL 634 N 0.63 1.05 -2.21 0.00 2.07 -1.45 -3.38 116.25 112.96 1f06 h VAL 634 Ca 0.02 -1.03 -0.69 0.00 0.82 0.00 0.00 66.70 65.82 1f06 h VAL 634 Cb 1.13 1.66 -0.17 0.00 -1.52 0.00 0.00 31.29 32.40 1f06 h VAL 634 CO 0.12 0.23 0.99 -0.76 0.02 0.00 0.00 177.57 178.17 1f06 s LEU 635 N -9.20 4.86 0.06 2.57 1.43 -0.87 -4.92 118.68 112.62 1f06 s LEU 635 Ca -0.14 -2.09 -0.14 0.00 -1.03 0.00 0.00 54.13 50.73 1f06 s LEU 635 Cb 0.01 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1f06 s LEU 635 CO 0.58 -1.08 1.24 0.00 0.23 0.00 0.00 176.35 177.31 1f06 h ALA 636 N 8.74 -0.35 -2.10 4.21 0.00 -1.75 -3.29 119.26 124.72 1f06 h ALA 636 Ca 0.18 0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.52 1f06 h ALA 636 Cb 1.00 1.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.74 1f06 h ALA 636 CO 1.16 -0.51 0.52 -1.21 0.00 0.00 0.00 179.25 179.21 1f06 s GLU 637 N -4.11 3.83 0.16 0.00 2.02 -1.26 -5.01 118.70 114.32 1f06 s GLU 637 Ca -0.06 0.51 -0.12 0.00 0.02 0.00 0.00 54.97 55.32 1f06 s GLU 637 Cb 0.04 -3.80 0.01 0.00 0.10 0.00 0.00 34.13 30.48 1f06 s GLU 637 CO 0.27 -0.89 0.34 -3.38 0.02 0.00 0.00 175.26 171.62 1f06 s HIS 638 N 3.31 0.17 -0.05 1.61 -3.43 -1.24 -3.60 115.29 112.05 1f06 s HIS 638 Ca 0.36 -0.53 0.03 0.00 -0.80 0.00 0.00 55.06 54.11 1f06 s HIS 638 Cb -0.13 0.09 0.01 0.00 -1.43 0.00 0.00 32.58 31.12 1f06 s HIS 638 CO 0.17 -0.74 -0.14 -0.65 -2.00 0.00 0.00 174.74 171.39 1f06 s GLN 639 N -3.91 1.65 -0.00 -0.38 -0.21 -0.03 -4.98 119.66 111.79 1f06 s GLN 639 Ca 0.12 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.03 1f06 s GLN 639 Cb 0.02 -1.40 0.00 0.00 1.00 0.00 0.00 33.01 32.63 1f06 s GLN 639 CO -0.04 0.11 -0.01 -1.14 -2.12 0.00 0.00 175.29 172.10 1f06 s GLN 640 N 0.38 0.09 -0.02 2.91 0.74 -1.26 -0.79 119.66 121.71 1f06 s GLN 640 Ca -0.10 -0.03 -0.12 0.00 0.05 0.00 0.00 55.36 55.17 1f06 s GLN 640 Cb -0.13 -0.10 0.02 0.00 1.10 0.00 0.00 33.01 33.89 1f06 s GLN 640 CO 0.03 0.01 0.24 -1.01 -0.55 0.00 0.00 175.29 174.02 1f06 s HIS 641 N 0.03 -0.11 0.04 1.67 3.76 -0.45 -5.02 115.29 115.21 1f06 s HIS 641 Ca -0.00 0.17 0.05 0.00 -0.15 0.00 0.00 55.06 55.13 1f06 s HIS 641 Cb -0.01 0.05 -0.02 0.00 1.11 0.00 0.00 32.58 33.70 1f06 s HIS 641 CO -0.00 -0.33 -0.14 0.95 -0.85 0.00 0.00 174.74 174.37 1f06 s THR 642 N -1.19 1.14 -0.01 1.30 -4.23 -1.26 -0.40 115.64 110.99 1f06 s THR 642 Ca -0.13 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 1f06 s THR 642 Cb -0.06 -1.04 -0.00 0.00 1.34 0.00 0.00 72.50 72.74 1f06 s THR 642 CO 0.03 -0.02 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.67 1f06 s PHE 643 N -0.92 0.59 -0.05 3.99 0.40 0.62 -4.87 117.98 117.73 1f06 s PHE 643 Ca 0.01 -0.12 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 1f06 s PHE 643 Cb -0.08 -0.41 -0.02 0.00 0.51 0.00 0.00 43.02 43.02 1f06 s PHE 643 CO 0.01 -0.04 -0.20 -1.58 0.70 0.00 0.00 175.22 174.12 1f06 s TRP 644 N 0.02 2.55 0.00 0.36 0.51 -1.26 -1.10 118.94 120.02 1f06 s TRP 644 Ca 0.00 -0.42 0.00 0.00 -2.12 0.00 0.00 56.10 53.56 1f06 s TRP 644 Cb -0.04 -1.61 0.00 0.00 -0.81 0.00 0.00 33.47 31.01 1f06 s TRP 644 CO -0.00 -0.02 0.00 0.41 -0.51 0.00 0.00 176.95 176.83 1f06 n GLY 645 N 2.63 0.74 3.74 0.98 0.00 0.10 -3.87 105.19 109.50 1f06 n GLY 645 Ca -0.17 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.30 1f06 n GLY 645 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f06 s PRO 646 N -1.20 4.40 0.02 1.61 0.05 -1.26 -4.60 135.00 134.02 1f06 s PRO 646 Ca 0.00 2.03 -0.28 0.00 0.05 0.00 0.00 61.00 62.80 1f06 s PRO 646 Cb 0.00 -3.20 0.09 0.00 0.05 0.00 0.00 34.50 31.44 1f06 s PRO 646 CO 0.00 -0.24 1.24 0.20 0.05 0.00 0.00 177.00 178.25 1f06 s GLY 647 N 0.35 -0.12 -0.21 0.56 0.00 -1.04 -4.48 107.32 102.38 1f06 s GLY 647 Ca 0.56 0.05 -0.19 0.00 0.00 0.00 0.00 44.72 45.14 1f06 s GLY 647 CO 0.38 4.38 0.57 -2.27 0.00 0.00 0.00 173.10 176.15 1f06 s LEU 648 N -3.63 4.13 -0.36 0.66 1.98 0.82 -0.50 118.68 121.78 1f06 s LEU 648 Ca 0.26 0.71 -0.15 0.00 -2.89 0.00 0.00 54.13 52.06 1f06 s LEU 648 Cb -0.00 -2.78 -0.01 0.00 0.66 0.00 0.00 46.19 44.06 1f06 s LEU 648 CO -0.00 -0.24 0.36 -0.55 -1.89 0.00 0.00 176.35 174.03 1f06 s SER 649 N 1.25 6.17 0.20 3.68 0.15 -0.93 -4.77 113.70 119.45 1f06 s SER 649 Ca 0.25 -0.35 -0.09 0.00 0.70 0.00 0.00 55.95 56.46 1f06 s SER 649 Cb -0.16 -2.19 0.15 0.00 -1.71 0.00 0.00 66.02 62.10 1f06 s SER 649 CO 0.10 -0.38 1.80 1.56 1.20 0.00 0.00 173.24 177.52 1f06 h GLN 650 N 8.52 1.08 -0.39 5.44 4.20 -1.97 -1.23 115.11 130.76 1f06 h GLN 650 Ca -0.29 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.26 1f06 h GLN 650 Cb 1.14 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1f06 h GLN 650 CO 0.71 0.84 0.22 0.78 -0.67 0.00 0.00 178.83 180.71 1f06 h GLY 651 N 1.06 0.58 1.69 3.46 0.00 -1.99 -0.48 103.07 107.40 1f06 h GLY 651 Ca 0.26 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 1f06 h GLY 651 CO -0.03 0.25 -0.48 0.45 0.00 0.00 0.00 176.54 176.73 1f06 h HIS 652 N 0.51 0.41 -0.34 5.60 3.86 -1.92 -1.96 115.15 121.30 1f06 h HIS 652 Ca 0.14 -0.13 -0.13 0.00 -1.16 0.00 0.00 60.37 59.09 1f06 h HIS 652 Cb 0.04 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1f06 h HIS 652 CO -0.03 0.75 -0.31 0.77 0.86 0.00 0.00 177.93 179.97 1f06 h SER 653 N 0.27 0.87 -0.43 2.45 0.02 -1.04 -2.58 113.55 113.10 1f06 h SER 653 Ca 0.02 -0.46 -0.10 0.00 -0.84 0.00 0.00 61.79 60.40 1f06 h SER 653 Cb 0.94 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1f06 h SER 653 CO 0.08 1.15 -0.12 -0.78 -1.14 0.00 0.00 176.83 176.02 1f06 h ASP 654 N 0.60 0.89 -0.89 3.07 1.82 -1.01 -2.87 116.42 118.02 1f06 h ASP 654 Ca 0.06 -0.28 -0.01 0.00 -0.39 0.00 0.00 57.03 56.40 1f06 h ASP 654 Cb 0.89 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.61 1f06 h ASP 654 CO 0.08 1.02 0.51 0.00 -1.61 0.00 0.00 179.24 179.24 1f06 h ALA 655 N 1.06 1.22 -0.44 -0.78 0.00 -1.26 -2.55 119.26 116.51 1f06 h ALA 655 Ca 0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1f06 h ALA 655 Cb 0.64 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1f06 h ALA 655 CO 0.04 0.65 -0.10 -0.07 0.00 0.00 0.00 179.25 179.78 1f06 h LEU 656 N 1.24 0.76 -0.75 0.00 3.38 -1.31 -2.88 115.31 115.75 1f06 h LEU 656 Ca 0.32 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1f06 h LEU 656 Cb -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1f06 h LEU 656 CO -0.06 0.89 0.00 0.03 0.09 0.00 0.00 178.44 179.39 1f06 h ARG 657 N 0.71 0.00 -0.00 1.13 3.08 -1.25 -2.59 114.38 115.46 1f06 h ARG 657 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1f06 h ARG 657 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1f06 h ARG 657 CO 0.04 0.00 -0.01 0.54 -1.07 0.00 0.00 179.97 179.46 1f06 n ARG 658 N -2.56 1.09 -3.05 0.04 5.12 -1.05 -4.74 116.66 111.50 1f06 n ARG 658 Ca 0.02 -0.26 -0.41 0.00 -1.93 0.00 0.00 57.85 55.27 1f06 n ARG 658 Cb 0.31 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.06 1f06 n ARG 658 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1f06 s ILE 659 N -2.09 4.88 0.19 0.55 1.01 -0.98 -5.02 121.20 119.74 1f06 s ILE 659 Ca 0.42 0.94 -0.33 0.00 0.00 0.00 0.00 60.65 61.69 1f06 s ILE 659 Cb 0.21 -4.06 -0.14 0.00 0.01 0.00 0.00 42.46 38.48 1f06 s ILE 659 CO 0.38 -0.20 1.41 -0.81 0.00 0.00 0.00 174.94 175.72 1f06 n PRO 660 N 6.02 1.84 0.00 2.79 -0.04 -1.26 -1.85 135.00 142.51 1f06 n PRO 660 Ca 0.01 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1f06 n PRO 660 Cb 0.49 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1f06 n PRO 660 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f06 n GLY 661 N 2.53 3.23 3.65 0.55 0.00 -1.26 -4.87 105.19 109.01 1f06 n GLY 661 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1f06 n GLY 661 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f06 s VAL 662 N -2.87 4.60 -0.17 1.61 1.01 -0.77 -4.26 120.40 119.55 1f06 s VAL 662 Ca 0.00 1.91 -0.17 0.00 0.00 0.00 0.00 61.98 63.72 1f06 s VAL 662 Cb 0.00 -4.33 -0.22 0.00 0.00 0.00 0.00 36.38 31.82 1f06 s VAL 662 CO 0.00 -0.28 0.32 1.56 0.00 0.00 0.00 175.10 176.69 1f06 h GLN 663 N 7.71 0.11 -3.31 2.72 4.20 -1.39 -3.48 115.11 121.68 1f06 h GLN 663 Ca -0.20 -0.19 -0.22 0.00 0.06 0.00 0.00 58.65 58.10 1f06 h GLN 663 Cb 1.06 0.07 -0.30 0.00 0.30 0.00 0.00 27.48 28.62 1f06 h GLN 663 CO 1.00 1.09 -0.58 0.15 -0.67 0.00 0.00 178.83 179.82 1f06 s LYS 664 N -2.43 0.12 0.01 1.46 1.02 -1.15 -5.01 119.74 113.76 1f06 s LYS 664 Ca -0.26 0.30 -0.14 0.00 0.02 0.00 0.00 55.97 55.89 1f06 s LYS 664 Cb 0.06 -0.08 0.02 0.00 -0.52 0.00 0.00 37.83 37.31 1f06 s LYS 664 CO 0.67 -0.11 0.31 0.00 -0.92 0.00 0.00 175.35 175.30 1f06 s ALA 665 N 0.75 -0.74 -0.05 5.17 0.00 -1.26 0.54 121.76 126.17 1f06 s ALA 665 Ca -0.06 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.92 1f06 s ALA 665 Cb -0.07 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1f06 s ALA 665 CO -0.04 -0.33 0.38 0.54 0.00 0.00 0.00 175.76 176.31 1f06 s VAL 666 N -1.90 0.04 -0.03 0.00 0.11 -0.47 -4.86 120.40 113.29 1f06 s VAL 666 Ca -0.09 -0.32 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 1f06 s VAL 666 Cb -0.03 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1f06 s VAL 666 CO 0.01 -0.17 -0.11 -1.58 -3.33 0.00 0.00 175.10 169.91 1f06 s GLN 667 N -1.01 1.18 -0.07 1.54 -0.44 -1.26 -0.53 119.66 119.07 1f06 s GLN 667 Ca -0.11 -0.38 0.04 0.00 -2.50 0.00 0.00 55.36 52.41 1f06 s GLN 667 Cb -0.04 -1.07 -0.02 0.00 -1.64 0.00 0.00 33.01 30.24 1f06 s GLN 667 CO 0.04 0.14 -0.18 0.71 0.50 0.00 0.00 175.29 176.51 1f06 s TYR 668 N 0.17 2.63 -0.26 1.67 1.51 0.14 -2.19 117.35 121.02 1f06 s TYR 668 Ca -0.04 -0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 55.49 1f06 s TYR 668 Cb -0.10 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 40.05 1f06 s TYR 668 CO 0.01 -0.02 0.19 0.99 -1.11 0.00 0.00 175.55 175.61 1f06 s THR 669 N -0.34 5.32 -0.24 -0.71 2.01 0.35 -0.83 115.64 121.20 1f06 s THR 669 Ca 0.03 0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 1f06 s THR 669 Cb -0.13 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 68.88 1f06 s THR 669 CO 0.02 0.28 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.41 1f06 s LEU 670 N 1.52 3.09 0.34 4.42 1.43 -0.46 -2.51 118.68 126.51 1f06 s LEU 670 Ca 0.07 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.25 1f06 s LEU 670 Cb -0.15 -1.66 -0.07 0.00 0.03 0.00 0.00 46.19 44.34 1f06 s LEU 670 CO 0.09 -0.11 0.70 -2.16 0.23 0.00 0.00 176.35 175.10 1f06 s PRO 671 N 1.34 3.85 -0.64 1.29 0.04 -1.25 -0.64 135.00 138.99 1f06 s PRO 671 Ca 0.01 0.47 -0.27 0.00 0.04 0.00 0.00 61.00 61.25 1f06 s PRO 671 Cb -0.16 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 31.95 1f06 s PRO 671 CO -0.05 0.11 1.17 0.45 0.04 0.00 0.00 177.00 178.72 1f06 s SER 672 N -2.72 6.31 0.47 6.66 0.15 -0.08 -4.89 113.70 119.60 1f06 s SER 672 Ca 0.51 -0.24 0.23 0.00 0.70 0.00 0.00 55.95 57.15 1f06 s SER 672 Cb -0.10 -2.53 1.25 0.00 -1.71 0.00 0.00 66.02 62.93 1f06 s SER 672 CO 0.25 -1.56 1.88 -0.33 1.20 0.00 0.00 173.24 174.67 1f06 h GLU 673 N 9.68 0.23 0.39 5.44 5.08 -1.95 -1.66 114.58 131.77 1f06 h GLU 673 Ca -0.26 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1f06 h GLU 673 Cb 1.06 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1f06 h GLU 673 CO 1.20 0.15 -0.18 0.22 -1.00 0.00 0.00 179.01 179.40 1f06 h ASP 674 N 0.23 -0.44 -0.61 1.42 3.58 -2.00 -2.56 116.42 116.05 1f06 h ASP 674 Ca 0.44 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.90 1f06 h ASP 674 Cb 1.35 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 42.48 1f06 h ASP 674 CO -0.11 -0.26 0.40 0.00 -2.88 0.00 0.00 179.24 176.39 1f06 h ALA 675 N 0.01 1.71 -0.19 -0.78 0.00 -1.73 -0.81 119.26 117.48 1f06 h ALA 675 Ca -0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1f06 h ALA 675 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1f06 h ALA 675 CO 0.09 0.22 0.08 1.25 0.00 0.00 0.00 179.25 180.88 1f06 h LEU 676 N 0.68 0.11 -0.53 0.00 5.85 -1.22 0.19 115.31 120.39 1f06 h LEU 676 Ca 0.25 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.87 1f06 h LEU 676 Cb 0.13 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1f06 h LEU 676 CO -0.07 0.09 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.68 1f06 h GLU 677 N 0.18 1.02 -0.66 1.25 4.39 -0.95 -2.11 114.58 117.71 1f06 h GLU 677 Ca 0.08 -0.38 0.03 0.00 0.34 0.00 0.00 59.36 59.42 1f06 h GLU 677 Cb 0.03 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1f06 h GLU 677 CO -0.06 1.07 0.41 0.87 -1.16 0.00 0.00 179.01 180.13 1f06 h LYS 678 N 0.89 0.78 -0.83 2.33 1.57 -0.75 -2.11 116.57 118.44 1f06 h LYS 678 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1f06 h LYS 678 Cb 0.68 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1f06 h LYS 678 CO 0.05 0.51 0.48 0.00 -0.57 0.00 0.00 179.45 179.92 1f06 h ALA 679 N 1.28 1.06 0.00 3.86 0.00 -0.42 0.38 119.26 125.43 1f06 h ALA 679 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1f06 h ALA 679 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1f06 h ALA 679 CO -0.10 0.56 -0.04 0.00 0.00 0.00 0.00 179.25 179.66 1f06 h ARG 680 N 1.15 0.00 -0.39 0.00 3.08 -0.72 -0.61 114.38 116.89 1f06 h ARG 680 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1f06 h ARG 680 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1f06 h ARG 680 CO -0.05 0.04 0.00 0.54 -1.07 0.00 0.00 179.97 179.43 1f06 n ARG 681 N -3.56 3.15 -3.55 0.04 1.74 -0.69 -4.96 116.66 108.84 1f06 n ARG 681 Ca -0.02 -2.58 -0.26 0.00 -0.77 0.00 0.00 57.85 54.22 1f06 n ARG 681 Cb 0.15 -1.66 0.03 0.00 -1.02 0.00 0.00 32.46 29.96 1f06 n ARG 681 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f06 n GLY 682 N 0.27 -0.51 0.13 -0.13 0.00 -0.24 -4.87 105.19 99.84 1f06 n GLY 682 Ca 0.19 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.40 1f06 n GLY 682 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f06 n GLU 683 N -4.45 2.93 -0.15 1.61 1.02 0.12 -4.61 120.64 117.11 1f06 n GLU 683 Ca -0.01 -1.65 0.10 0.00 -0.02 0.00 0.00 57.16 55.58 1f06 n GLU 683 Cb 0.56 -1.07 0.18 0.00 -0.02 0.00 0.00 31.44 31.08 1f06 n GLU 683 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1f06 n ALA 684 N -0.33 2.40 -1.09 0.62 0.00 -1.19 -4.82 120.51 116.10 1f06 n ALA 684 Ca 0.03 -0.95 -0.38 0.00 0.00 0.00 0.00 53.44 52.14 1f06 n ALA 684 Cb 0.30 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 1f06 n ALA 684 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f06 n GLY 685 N 1.23 -1.32 3.26 0.00 0.00 -1.26 -3.24 105.19 103.86 1f06 n GLY 685 Ca 0.16 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 1f06 n GLY 685 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1f06 n ASP 686 N 1.55 -6.83 -3.66 1.61 10.43 -1.26 -5.03 116.55 113.35 1f06 n ASP 686 Ca 0.14 -0.54 -0.10 0.00 2.57 0.00 0.00 54.79 56.86 1f06 n ASP 686 Cb 0.19 -4.92 -0.10 0.00 1.84 0.00 0.00 41.12 38.13 1f06 n ASP 686 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1f06 s LEU 687 N -5.04 -0.50 0.59 0.64 2.96 -1.20 -5.17 118.68 110.96 1f06 s LEU 687 Ca 0.29 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 55.14 1f06 s LEU 687 Cb -0.05 1.24 0.07 0.00 0.50 0.00 0.00 46.19 47.95 1f06 s LEU 687 CO 0.76 -0.23 0.82 0.42 -1.32 0.00 0.00 176.35 176.81 1f06 s THR 688 N 2.40 2.46 0.41 3.68 -4.23 -1.26 -5.00 115.64 114.10 1f06 s THR 688 Ca -0.02 -0.73 0.20 0.00 -1.18 0.00 0.00 61.69 59.96 1f06 s THR 688 Cb -0.11 -2.74 0.22 0.00 1.34 0.00 0.00 72.50 71.21 1f06 s THR 688 CO -0.12 0.00 1.99 1.23 -0.54 0.00 0.00 174.62 177.18 1f06 h GLY 689 N -0.04 0.00 2.00 3.99 0.00 -1.97 -2.35 103.07 104.70 1f06 h GLY 689 Ca -0.38 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1f06 h GLY 689 CO 0.46 0.00 -0.18 0.50 0.00 0.00 0.00 176.54 177.32 1f06 h LYS 690 N 0.00 0.00 -0.01 4.80 1.57 -1.92 -2.82 116.57 118.19 1f06 h LYS 690 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1f06 h LYS 690 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1f06 h LYS 690 CO 0.03 0.18 -0.46 1.04 -0.57 0.00 0.00 179.45 179.67 1f06 n GLN 691 N -3.25 1.18 -0.04 3.15 6.02 -0.92 -4.28 117.38 119.24 1f06 n GLN 691 Ca 0.01 -0.95 0.03 0.00 -0.01 0.00 0.00 57.00 56.08 1f06 n GLN 691 Cb 0.47 -1.48 0.05 0.00 1.02 0.00 0.00 30.24 30.30 1f06 n GLN 691 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1f06 n THR 692 N -0.08 0.43 -4.16 5.09 -2.24 -1.01 -4.95 114.28 107.35 1f06 n THR 692 Ca 0.10 -0.71 -0.16 0.00 -2.27 0.00 0.00 64.05 61.01 1f06 n THR 692 Cb 0.46 0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 69.41 1f06 n THR 692 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1f06 s HIS 693 N -0.73 0.59 -0.02 4.78 3.76 -1.08 -0.90 115.29 121.70 1f06 s HIS 693 Ca 0.10 -0.21 0.03 0.00 -0.15 0.00 0.00 55.06 54.83 1f06 s HIS 693 Cb 0.06 -0.37 -0.03 0.00 1.11 0.00 0.00 32.58 33.35 1f06 s HIS 693 CO 0.08 -0.03 -0.09 0.15 -0.85 0.00 0.00 174.74 174.00 1f06 s LYS 694 N -0.56 2.53 -0.26 1.40 1.02 0.19 -4.29 119.74 119.78 1f06 s LYS 694 Ca -0.01 -0.71 -0.05 0.00 0.02 0.00 0.00 55.97 55.23 1f06 s LYS 694 Cb -0.05 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 1f06 s LYS 694 CO 0.00 0.61 0.01 1.03 -0.92 0.00 0.00 175.35 176.08 1f06 s ARG 695 N -1.16 3.15 -0.28 1.68 0.52 -0.37 -1.35 118.95 121.14 1f06 s ARG 695 Ca 0.15 -0.80 -0.07 0.00 -0.52 0.00 0.00 55.73 54.49 1f06 s ARG 695 Cb -0.11 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 1f06 s ARG 695 CO 0.05 -0.35 0.08 -1.14 0.02 0.00 0.00 175.30 173.96 1f06 s GLN 696 N 1.46 3.31 -0.08 3.54 0.74 -0.01 -1.11 119.66 127.51 1f06 s GLN 696 Ca 0.03 -0.71 -0.00 0.00 0.05 0.00 0.00 55.36 54.73 1f06 s GLN 696 Cb -0.16 -3.36 -0.03 0.00 1.10 0.00 0.00 33.01 30.56 1f06 s GLN 696 CO -0.01 -0.35 -0.05 0.00 -0.55 0.00 0.00 175.29 174.33 1f06 s PHE 698 N -0.67 2.92 -0.05 0.00 0.40 0.31 -0.82 117.98 120.07 1f06 s PHE 698 Ca 0.10 -2.20 0.04 0.00 -0.60 0.00 0.00 56.93 54.27 1f06 s PHE 698 Cb -0.11 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 1f06 s PHE 698 CO 0.02 -0.85 -0.16 0.08 0.70 0.00 0.00 175.22 175.00 1f06 s VAL 699 N 1.21 2.89 -0.39 -0.44 1.01 0.12 -1.36 120.40 123.44 1f06 s VAL 699 Ca -0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1f06 s VAL 699 Cb -0.19 -2.12 0.09 0.00 0.00 0.00 0.00 36.38 34.16 1f06 s VAL 699 CO -0.07 0.58 0.18 -0.69 0.00 0.00 0.00 175.10 175.10 1f06 s VAL 700 N -0.62 3.45 0.19 2.92 1.01 0.19 -1.89 120.40 125.65 1f06 s VAL 700 Ca 0.09 -1.77 -0.10 0.00 0.00 0.00 0.00 61.98 60.21 1f06 s VAL 700 Cb -0.11 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1f06 s VAL 700 CO 0.01 -0.53 0.33 0.00 0.00 0.00 0.00 175.10 174.91 1f06 s ALA 701 N 1.23 0.02 0.31 5.51 0.00 -1.26 -0.99 121.76 126.57 1f06 s ALA 701 Ca 0.04 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 1f06 s ALA 701 Cb -0.22 0.97 -0.10 0.00 0.00 0.00 0.00 23.12 23.77 1f06 s ALA 701 CO -0.02 -0.70 1.34 -0.51 0.00 0.00 0.00 175.76 175.86 1f06 s ASP 702 N -3.00 6.74 0.41 0.00 1.01 -1.26 -4.90 116.67 115.67 1f06 s ASP 702 Ca 0.21 2.68 0.14 0.00 0.71 0.00 0.00 52.55 56.29 1f06 s ASP 702 Cb 0.02 -2.64 0.99 0.00 1.01 0.00 0.00 42.92 42.30 1f06 s ASP 702 CO 0.04 -0.58 1.90 0.00 0.21 0.00 0.00 175.17 176.74 1f06 h ALA 703 N 3.78 2.05 -0.72 5.23 0.00 -2.01 0.30 119.26 127.88 1f06 h ALA 703 Ca -0.48 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.48 1f06 h ALA 703 Cb 1.22 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1f06 h ALA 703 CO 0.68 -0.27 0.48 0.00 0.00 0.00 0.00 179.25 180.14 1f06 h ALA 704 N 1.63 1.63 -0.45 0.00 0.00 -2.03 -2.13 119.26 117.92 1f06 h ALA 704 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1f06 h ALA 704 Cb 0.85 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1f06 h ALA 704 CO -0.15 0.27 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 1f06 n ASP 705 N -4.47 2.40 0.04 0.00 10.43 0.08 -4.57 116.55 120.47 1f06 n ASP 705 Ca 0.10 -2.00 -0.13 0.00 2.57 0.00 0.00 54.79 55.33 1f06 n ASP 705 Cb 0.17 -0.30 -0.08 0.00 1.84 0.00 0.00 41.12 42.75 1f06 n ASP 705 CO 0.00 0.00 0.00 0.45 -1.07 0.00 0.00 177.20 176.58 1f06 h HIS 706 N 2.63 -0.08 -0.59 1.24 3.86 -1.29 -2.49 115.15 118.42 1f06 h HIS 706 Ca 0.00 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1f06 h HIS 706 Cb 0.60 0.03 -0.05 0.00 1.06 0.00 0.00 27.41 29.05 1f06 h HIS 706 CO 0.30 0.18 0.32 1.49 0.86 0.00 0.00 177.93 181.09 1f06 h GLU 707 N -0.35 0.60 -0.11 2.45 4.81 -1.81 -1.78 114.58 118.39 1f06 h GLU 707 Ca -0.01 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1f06 h GLU 707 Cb 0.31 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1f06 h GLU 707 CO 0.02 0.40 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.60 1f06 h ARG 708 N 0.62 0.19 -0.34 1.92 2.43 -1.88 -2.51 114.38 114.82 1f06 h ARG 708 Ca 0.26 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1f06 h ARG 708 Cb 0.14 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1f06 h ARG 708 CO -0.16 0.45 0.22 0.82 -1.51 0.00 0.00 179.97 179.79 1f06 h ILE 709 N -0.09 1.08 -0.76 1.20 2.04 -1.29 -0.19 117.51 119.50 1f06 h ILE 709 Ca 0.03 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.76 1f06 h ILE 709 Cb 0.36 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1f06 h ILE 709 CO 0.01 0.08 0.50 -0.08 0.00 0.00 0.00 178.15 178.66 1f06 h GLU 710 N 0.45 0.94 -0.24 2.37 4.81 -1.33 -0.37 114.58 121.21 1f06 h GLU 710 Ca 0.13 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1f06 h GLU 710 Cb -0.05 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 1f06 h GLU 710 CO -0.03 0.62 -0.24 -0.97 -0.73 0.00 0.00 179.01 177.66 1f06 h ASN 711 N 0.97 0.62 0.42 1.04 -0.73 -0.96 -1.44 115.58 115.50 1f06 h ASN 711 Ca 0.29 -0.48 -0.02 0.00 1.87 0.00 0.00 56.30 57.97 1f06 h ASN 711 Cb -0.02 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.39 1f06 h ASN 711 CO -0.08 0.97 -0.08 0.44 -0.37 0.00 0.00 177.43 178.32 1f06 h ASP 712 N 0.29 0.00 0.00 1.15 3.45 -0.34 -2.37 116.42 118.60 1f06 h ASP 712 Ca 0.04 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 1f06 h ASP 712 Cb 0.80 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.57 1f06 h ASP 712 CO 0.06 0.08 -0.08 0.40 -1.57 0.00 0.00 179.24 178.12 1f06 h ILE 713 N 0.00 0.91 0.00 0.35 2.04 -0.88 -3.20 117.51 116.72 1f06 h ILE 713 Ca -0.00 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.15 1f06 h ILE 713 Cb 0.31 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1f06 h ILE 713 CO 0.01 0.31 -0.03 0.03 0.00 0.00 0.00 178.15 178.47 1f06 h ARG 714 N -1.00 0.00 -0.39 2.37 3.08 -1.19 -2.47 114.38 114.78 1f06 h ARG 714 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1f06 h ARG 714 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1f06 h ARG 714 CO -0.01 0.03 0.00 0.25 -1.07 0.00 0.00 179.97 179.17 1f06 n THR 715 N -3.38 1.35 -2.49 2.04 -2.24 -0.90 -4.13 114.28 104.55 1f06 n THR 715 Ca -0.02 -1.20 -0.43 0.00 -2.27 0.00 0.00 64.05 60.13 1f06 n THR 715 Cb 0.14 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1f06 n THR 715 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1f06 s MET 716 N -1.46 3.88 0.56 -0.78 0.00 -0.93 -4.81 119.30 115.76 1f06 s MET 716 Ca 0.32 1.08 -0.21 0.00 0.00 0.00 0.00 55.69 56.88 1f06 s MET 716 Cb 0.20 -3.87 -0.04 0.00 0.00 0.00 0.00 34.83 31.12 1f06 s MET 716 CO 0.17 -1.16 1.29 -1.25 0.00 0.00 0.00 175.02 174.07 1f06 s PRO 717 N 4.18 3.10 0.00 4.11 0.04 -1.26 -1.20 135.00 143.97 1f06 s PRO 717 Ca 0.53 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1f06 s PRO 717 Cb -0.14 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1f06 s PRO 717 CO 0.24 -1.17 0.00 -0.25 0.04 0.00 0.00 177.00 175.86 1f06 n ASP 718 N -1.21 0.00 0.12 6.66 10.43 -1.26 -4.38 116.55 126.92 1f06 n ASP 718 Ca 0.11 0.00 -0.24 0.00 2.57 0.00 0.00 54.79 57.23 1f06 n ASP 718 Cb 0.47 0.00 -0.16 0.00 1.84 0.00 0.00 41.12 43.27 1f06 n ASP 718 CO 0.00 0.00 0.00 1.88 -1.07 0.00 0.00 177.20 178.01 1f06 h TYR 719 N 0.00 0.90 0.00 1.24 -1.99 -1.98 -3.44 116.97 111.69 1f06 h TYR 719 Ca 0.00 -0.66 0.00 0.00 2.00 0.00 0.00 58.73 60.07 1f06 h TYR 719 Cb 0.00 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.69 1f06 h TYR 719 CO 0.00 1.61 -0.70 1.19 -0.00 0.00 0.00 178.16 180.25 1f06 n PHE 720 N -3.67 0.00 -1.70 4.88 3.01 -0.49 -4.97 117.46 114.52 1f06 n PHE 720 Ca -0.20 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 57.83 1f06 n PHE 720 Cb 1.10 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.54 1f06 n PHE 720 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1f06 n VAL 721 N -1.72 0.77 0.00 -4.37 0.24 -0.34 -1.93 118.33 110.98 1f06 n VAL 721 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1f06 n VAL 721 Cb 0.35 -1.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.06 1f06 n VAL 721 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1f06 n GLY 722 N 2.47 1.87 3.94 7.63 0.00 -1.26 -4.68 105.19 115.16 1f06 n GLY 722 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1f06 n GLY 722 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f06 s TYR 723 N -2.33 3.49 -0.25 1.61 1.51 -0.81 -4.88 117.35 115.68 1f06 s TYR 723 Ca 0.00 0.13 -0.29 0.00 -1.01 0.00 0.00 57.07 55.90 1f06 s TYR 723 Cb 0.00 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1f06 s TYR 723 CO 0.00 0.52 1.12 -2.00 -1.11 0.00 0.00 175.55 174.08 1f06 s GLU 724 N -3.19 4.16 -0.04 -0.62 2.12 -1.26 -4.98 118.70 114.90 1f06 s GLU 724 Ca 0.35 1.32 0.06 0.00 0.36 0.00 0.00 54.97 57.06 1f06 s GLU 724 Cb -0.11 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.54 1f06 s GLU 724 CO 0.28 -0.78 -0.21 0.08 -0.54 0.00 0.00 175.26 174.10 1f06 s VAL 725 N 3.53 2.51 -0.14 3.70 1.01 -1.26 -1.24 120.40 128.50 1f06 s VAL 725 Ca 0.48 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1f06 s VAL 725 Cb -0.16 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1f06 s VAL 725 CO 0.12 0.58 -0.17 -1.61 0.00 0.00 0.00 175.10 174.03 1f06 s GLU 726 N -0.62 2.54 -0.18 2.72 2.02 -0.26 -4.98 118.70 119.94 1f06 s GLU 726 Ca 0.09 -0.66 -0.04 0.00 0.02 0.00 0.00 54.97 54.38 1f06 s GLU 726 Cb -0.11 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 1f06 s GLU 726 CO 0.00 -0.14 -0.04 0.08 0.02 0.00 0.00 175.26 175.17 1f06 s VAL 727 N 1.19 3.67 -0.14 2.63 1.01 -1.26 -0.89 120.40 126.61 1f06 s VAL 727 Ca -0.00 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1f06 s VAL 727 Cb -0.14 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1f06 s VAL 727 CO -0.07 0.46 -0.19 0.20 0.00 0.00 0.00 175.10 175.50 1f06 s ASN 728 N 0.80 2.89 -0.47 3.32 0.01 0.00 -4.99 114.94 116.50 1f06 s ASN 728 Ca -0.01 -0.55 -0.12 0.00 -0.71 0.00 0.00 52.86 51.47 1f06 s ASN 728 Cb -0.15 -1.32 0.10 0.00 0.41 0.00 0.00 41.25 40.30 1f06 s ASN 728 CO 0.02 0.03 0.36 -0.36 -1.51 0.00 0.00 177.10 175.64 1f06 s PHE 729 N 1.04 3.34 0.37 2.20 0.40 -1.26 0.14 117.98 124.20 1f06 s PHE 729 Ca -0.03 -1.53 0.08 0.00 -0.60 0.00 0.00 56.93 54.85 1f06 s PHE 729 Cb -0.15 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 39.97 1f06 s PHE 729 CO -0.05 -0.94 0.24 0.96 0.70 0.00 0.00 175.22 176.13 1f06 s ILE 730 N 1.47 2.97 0.32 0.64 -4.36 -0.79 -4.98 121.20 116.46 1f06 s ILE 730 Ca 0.04 -1.54 -0.29 0.00 -0.26 0.00 0.00 60.65 58.61 1f06 s ILE 730 Cb -0.26 -3.04 -0.10 0.00 1.25 0.00 0.00 42.46 40.31 1f06 s ILE 730 CO 0.02 -0.12 1.28 -0.62 0.24 0.00 0.00 174.94 175.75 1f06 s ASP 731 N -3.95 6.83 0.41 4.36 2.15 -1.26 -4.50 116.67 120.72 1f06 s ASP 731 Ca 0.41 2.63 0.16 0.00 0.43 0.00 0.00 52.55 56.18 1f06 s ASP 731 Cb -0.03 -2.64 1.05 0.00 -0.30 0.00 0.00 42.92 40.99 1f06 s ASP 731 CO 0.25 -0.49 1.87 -0.08 -0.17 0.00 0.00 175.17 176.55 1f06 h GLU 732 N 3.54 0.43 0.10 4.34 4.81 -1.97 -0.58 114.58 125.24 1f06 h GLU 732 Ca -0.48 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1f06 h GLU 732 Cb 1.22 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1f06 h GLU 732 CO 0.66 0.28 -0.05 0.00 -0.73 0.00 0.00 179.01 179.18 1f06 h ALA 733 N 1.62 -0.13 -0.31 2.92 0.00 -2.00 -1.81 119.26 119.55 1f06 h ALA 733 Ca 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1f06 h ALA 733 Cb 1.04 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1f06 h ALA 733 CO -0.17 -0.46 0.18 1.15 0.00 0.00 0.00 179.25 179.94 1f06 h THR 734 N -0.35 1.10 0.40 0.00 2.02 -1.62 -3.01 112.91 111.45 1f06 h THR 734 Ca -0.01 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1f06 h THR 734 Cb 0.30 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1f06 h THR 734 CO 0.02 0.10 -0.19 0.15 0.37 0.00 0.00 175.52 175.97 1f06 h PHE 735 N 0.43 -0.50 0.00 3.16 3.57 -0.93 -2.13 116.94 120.54 1f06 h PHE 735 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1f06 h PHE 735 Cb 0.00 0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1f06 h PHE 735 CO 0.00 -0.17 0.00 -0.25 -2.23 0.00 0.00 178.31 175.66 1f06 n ASP 736 N -5.17 0.46 -0.08 0.41 10.43 -0.70 -1.75 116.55 120.15 1f06 n ASP 736 Ca -0.09 0.70 -0.09 0.00 2.57 0.00 0.00 54.79 57.87 1f06 n ASP 736 Cb 0.28 -0.77 -0.12 0.00 1.84 0.00 0.00 41.12 42.36 1f06 n ASP 736 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1f06 n SER 737 N -2.11 1.35 -0.00 -2.24 3.41 -1.14 -4.69 113.62 108.19 1f06 n SER 737 Ca -0.01 -0.03 0.08 0.00 -0.26 0.00 0.00 58.87 58.66 1f06 n SER 737 Cb 0.06 0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 64.53 1f06 n SER 737 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1f06 n GLU 738 N -2.71 1.54 -3.32 4.33 1.02 -0.80 -4.76 120.64 115.94 1f06 n GLU 738 Ca -0.28 -0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.58 1f06 n GLU 738 Cb 0.99 -1.28 -0.07 0.00 -0.02 0.00 0.00 31.44 31.06 1f06 n GLU 738 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1f06 n HIS 739 N -1.45 2.86 -0.05 -0.32 8.25 -0.72 -4.83 115.22 118.96 1f06 n HIS 739 Ca 0.02 -4.02 -0.07 0.00 -0.26 0.00 0.00 57.72 53.39 1f06 n HIS 739 Cb 0.27 -0.51 -0.04 0.00 1.12 0.00 0.00 29.99 30.83 1f06 n HIS 739 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1f06 n THR 740 N 0.82 0.53 -1.21 1.59 -2.24 -1.26 -4.87 114.28 107.64 1f06 n THR 740 Ca 0.28 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.56 1f06 n THR 740 Cb 0.44 -0.90 0.10 0.00 -2.10 0.00 0.00 70.33 67.86 1f06 n THR 740 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1f06 s GLY 741 N -4.92 1.69 -0.42 3.38 0.00 -1.26 -5.00 107.32 100.79 1f06 s GLY 741 Ca -0.13 0.31 0.10 0.00 0.00 0.00 0.00 44.72 45.01 1f06 s GLY 741 CO 0.21 0.67 0.97 1.03 0.00 0.00 0.00 173.10 175.97 1f06 n MET 742 N -3.58 2.30 -2.14 2.90 0.00 -1.26 -4.92 117.12 110.41 1f06 n MET 742 Ca 0.09 -4.02 -0.32 0.00 0.00 0.00 0.00 57.70 53.46 1f06 n MET 742 Cb 0.53 -1.86 -0.01 0.00 0.00 0.00 0.00 33.22 31.88 1f06 n MET 742 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1f06 s PRO 743 N -3.21 3.72 0.12 0.03 0.04 -1.23 0.34 135.00 134.80 1f06 s PRO 743 Ca 0.41 0.91 -0.20 0.00 0.04 0.00 0.00 61.00 62.16 1f06 s PRO 743 Cb 0.39 -2.10 0.07 0.00 0.04 0.00 0.00 34.50 32.90 1f06 s PRO 743 CO -0.09 -0.47 0.95 1.58 0.04 0.00 0.00 177.00 179.01 1f06 n HIS 744 N -2.09 -1.04 -3.32 0.56 -0.00 -0.65 -0.13 115.22 108.55 1f06 n HIS 744 Ca 0.07 -0.99 0.00 0.00 0.46 0.00 0.00 57.72 57.25 1f06 n HIS 744 Cb 0.54 0.48 0.00 0.00 -0.12 0.00 0.00 29.99 30.89 1f06 n HIS 744 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1f06 n GLY 745 N -0.67 -0.67 0.00 1.57 0.00 -1.26 -0.84 105.19 103.31 1f06 n GLY 745 Ca -0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1f06 n GLY 745 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f06 n GLY 746 N 0.00 -1.81 3.07 -0.02 0.00 -0.68 -0.72 105.19 105.02 1f06 n GLY 746 Ca 0.00 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 1f06 n GLY 746 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1f06 s HIS 747 N -2.17 1.02 -0.27 1.61 3.76 -0.26 -1.26 115.29 117.73 1f06 s HIS 747 Ca 0.00 -0.20 0.03 0.00 -0.15 0.00 0.00 55.06 54.73 1f06 s HIS 747 Cb 0.00 -0.66 0.06 0.00 1.11 0.00 0.00 32.58 33.10 1f06 s HIS 747 CO 0.00 -0.02 -0.08 0.08 -0.85 0.00 0.00 174.74 173.88 1f06 s VAL 748 N -0.31 2.26 -0.16 -0.90 1.01 -0.28 -0.28 120.40 121.73 1f06 s VAL 748 Ca 0.04 -1.71 -0.04 0.00 0.00 0.00 0.00 61.98 60.27 1f06 s VAL 748 Cb -0.05 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1f06 s VAL 748 CO -0.00 -0.11 -0.03 -0.63 0.00 0.00 0.00 175.10 174.32 1f06 s ILE 749 N 1.09 3.91 -0.07 2.22 1.01 0.47 -1.66 121.20 128.16 1f06 s ILE 749 Ca -0.06 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1f06 s ILE 749 Cb -0.20 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.57 1f06 s ILE 749 CO -0.05 0.48 -0.09 -0.89 0.00 0.00 0.00 174.94 174.39 1f06 s THR 750 N 0.46 0.95 0.11 2.92 2.01 -0.02 -1.34 115.64 120.73 1f06 s THR 750 Ca -0.03 -0.33 0.10 0.00 0.31 0.00 0.00 61.69 61.74 1f06 s THR 750 Cb -0.14 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1f06 s THR 750 CO 0.03 0.33 -0.25 0.42 -0.69 0.00 0.00 174.62 174.45 1f06 s THR 751 N 1.05 2.36 0.06 -0.82 -4.23 0.03 -0.17 115.64 113.92 1f06 s THR 751 Ca -0.08 -1.61 -0.16 0.00 -1.18 0.00 0.00 61.69 58.66 1f06 s THR 751 Cb -0.14 -2.03 0.03 0.00 1.34 0.00 0.00 72.50 71.70 1f06 s THR 751 CO -0.01 0.16 0.37 -0.83 -0.54 0.00 0.00 174.62 173.77 1f06 s GLY 752 N -1.88 -0.22 -0.07 3.99 0.00 -0.46 -0.85 107.32 107.84 1f06 s GLY 752 Ca 0.14 0.13 0.04 0.00 0.00 0.00 0.00 44.72 45.03 1f06 s GLY 752 CO 0.06 -0.12 -0.20 -0.35 0.00 0.00 0.00 173.10 172.49 1f06 s ASP 753 N -2.19 3.45 -0.31 1.64 -1.08 -1.24 -0.75 116.67 116.20 1f06 s ASP 753 Ca -0.03 -0.41 0.08 0.00 -0.52 0.00 0.00 52.55 51.67 1f06 s ASP 753 Cb -0.00 -1.00 0.48 0.00 -1.46 0.00 0.00 42.92 40.94 1f06 s ASP 753 CO -0.05 0.25 1.41 0.35 0.52 0.00 0.00 175.17 177.66 1f06 n THR 754 N 2.93 2.57 0.00 1.71 -2.24 0.27 -4.71 114.28 114.81 1f06 n THR 754 Ca -0.18 -3.14 0.00 0.00 -2.27 0.00 0.00 64.05 58.46 1f06 n THR 754 Cb 0.52 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1f06 n THR 754 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f06 n GLY 755 N -1.04 0.71 0.80 3.38 0.00 -1.26 -4.65 105.19 103.14 1f06 n GLY 755 Ca 0.35 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1f06 n GLY 755 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f06 n GLY 756 N 0.00 0.78 2.83 -0.02 0.00 -1.26 -5.06 105.19 102.46 1f06 n GLY 756 Ca 0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1f06 n GLY 756 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f06 s PHE 757 N -2.00 0.74 0.13 1.61 0.08 -1.26 -5.15 117.98 112.14 1f06 s PHE 757 Ca 0.00 -0.22 -0.06 0.00 0.12 0.00 0.00 56.93 56.77 1f06 s PHE 757 Cb 0.00 -0.77 -0.06 0.00 -0.57 0.00 0.00 43.02 41.62 1f06 s PHE 757 CO 0.00 -0.29 0.39 1.21 -0.10 0.00 0.00 175.22 176.44 1f06 s ASN 758 N 1.54 6.53 -0.03 1.36 2.47 -1.26 -0.56 114.94 124.99 1f06 s ASN 758 Ca -0.01 0.66 0.01 0.00 0.42 0.00 0.00 52.86 53.93 1f06 s ASN 758 Cb -0.13 -2.12 0.02 0.00 -1.45 0.00 0.00 41.25 37.57 1f06 s ASN 758 CO -0.03 0.07 -0.03 -1.00 -3.72 0.00 0.00 177.10 172.39 1f06 s HIS 759 N -1.61 0.49 -0.09 0.43 3.76 0.07 -4.97 115.29 113.37 1f06 s HIS 759 Ca 0.39 -0.09 0.04 0.00 -0.15 0.00 0.00 55.06 55.25 1f06 s HIS 759 Cb -0.12 -0.45 -0.01 0.00 1.11 0.00 0.00 32.58 33.10 1f06 s HIS 759 CO 0.23 -0.11 -0.21 0.99 -0.85 0.00 0.00 174.74 174.78 1f06 s THR 760 N 0.63 2.33 -0.17 1.30 2.01 -1.26 -1.35 115.64 119.13 1f06 s THR 760 Ca -0.07 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.00 1f06 s THR 760 Cb -0.10 -1.90 0.02 0.00 0.01 0.00 0.00 72.50 70.53 1f06 s THR 760 CO -0.01 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.60 1f06 s VAL 761 N 0.12 1.98 -0.09 3.82 1.01 0.76 -5.00 120.40 123.00 1f06 s VAL 761 Ca -0.11 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1f06 s VAL 761 Cb -0.16 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1f06 s VAL 761 CO 0.06 0.53 -0.11 -0.70 0.00 0.00 0.00 175.10 174.88 1f06 s GLU 762 N 1.28 1.72 -0.21 2.72 2.12 -1.26 -0.84 118.70 124.23 1f06 s GLU 762 Ca 0.04 -0.38 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 1f06 s GLU 762 Cb -0.13 -1.55 -0.00 0.00 0.26 0.00 0.00 34.13 32.70 1f06 s GLU 762 CO -0.12 -0.10 -0.07 -0.47 -0.54 0.00 0.00 175.26 173.96 1f06 s TYR 763 N 1.10 2.92 -0.01 5.30 5.04 -0.66 -4.98 117.35 126.05 1f06 s TYR 763 Ca -0.06 -1.07 0.08 0.00 -2.44 0.00 0.00 57.07 53.57 1f06 s TYR 763 Cb -0.14 -2.07 -0.02 0.00 0.35 0.00 0.00 41.96 40.07 1f06 s TYR 763 CO -0.02 -0.60 -0.24 0.42 -1.34 0.00 0.00 175.55 173.77 1f06 s ILE 764 N 1.44 2.22 -0.09 3.14 1.01 -1.26 -1.13 121.20 126.53 1f06 s ILE 764 Ca 0.06 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1f06 s ILE 764 Cb -0.14 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1f06 s ILE 764 CO -0.05 0.55 -0.15 -0.76 0.00 0.00 0.00 174.94 174.53 1f06 s LEU 765 N -0.72 1.74 -0.32 2.97 1.43 -0.39 -4.98 118.68 118.41 1f06 s LEU 765 Ca 0.11 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1f06 s LEU 765 Cb -0.10 -1.03 0.10 0.00 0.03 0.00 0.00 46.19 45.19 1f06 s LEU 765 CO -0.00 0.04 0.07 -0.54 0.23 0.00 0.00 176.35 176.15 1f06 s LYS 766 N 0.76 1.09 -0.20 1.70 -0.14 -1.26 -1.69 119.74 120.01 1f06 s LYS 766 Ca -0.12 -1.42 -0.04 0.00 -1.36 0.00 0.00 55.97 53.03 1f06 s LYS 766 Cb -0.16 -2.55 -0.02 0.00 -1.68 0.00 0.00 37.83 33.42 1f06 s LYS 766 CO 0.02 -0.95 -0.03 -0.51 -0.76 0.00 0.00 175.35 173.13 1f06 s LEU 767 N 1.29 3.06 0.31 3.17 1.43 -0.02 -4.97 118.68 122.94 1f06 s LEU 767 Ca 0.09 -0.29 0.14 0.00 -1.03 0.00 0.00 54.13 53.05 1f06 s LEU 767 Cb -0.18 -1.77 0.42 0.00 0.03 0.00 0.00 46.19 44.69 1f06 s LEU 767 CO -0.17 0.04 1.62 0.44 0.23 0.00 0.00 176.35 178.52 1f06 h ASP 768 N 7.64 0.00 -2.35 2.29 3.45 -1.89 -1.74 116.42 123.82 1f06 h ASP 768 Ca -0.37 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 56.78 1f06 h ASP 768 Cb 1.18 0.00 -0.34 0.00 -0.56 0.00 0.00 39.33 39.60 1f06 h ASP 768 CO 0.60 0.53 -0.62 -0.60 -1.57 0.00 0.00 179.24 177.59 1f06 s ARG 769 N -3.46 0.25 0.14 3.56 3.52 -1.26 -3.49 118.95 118.21 1f06 s ARG 769 Ca 0.00 0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.43 1f06 s ARG 769 Cb 0.11 -0.97 -0.05 0.00 -1.56 0.00 0.00 34.95 32.48 1f06 s ARG 769 CO 0.73 -0.77 1.57 -0.97 -0.81 0.00 0.00 175.30 175.05 1f06 h ASN 770 N 8.29 -1.55 -0.16 -2.12 -0.73 -0.36 -2.00 115.58 116.94 1f06 h ASN 770 Ca -0.16 0.21 0.05 0.00 1.87 0.00 0.00 56.30 58.27 1f06 h ASN 770 Cb 1.13 0.65 -0.01 0.00 0.27 0.00 0.00 38.32 40.36 1f06 h ASN 770 CO 0.30 -0.41 0.13 1.55 -0.37 0.00 0.00 177.43 178.64 1f06 h PRO 771 N -0.41 0.00 -0.21 6.67 0.13 -1.92 -1.47 132.00 134.78 1f06 h PRO 771 Ca 0.10 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.13 1f06 h PRO 771 Cb 0.61 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1f06 h PRO 771 CO -0.53 0.00 -0.24 -0.44 -0.23 0.00 0.00 178.00 176.56 1f06 h ASP 772 N 0.00 0.59 -0.07 1.44 5.19 -1.72 -0.72 116.42 121.12 1f06 h ASP 772 Ca 0.08 -0.49 -0.20 0.00 -0.62 0.00 0.00 57.03 55.80 1f06 h ASP 772 Cb 0.34 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1f06 h ASP 772 CO -0.00 0.96 -0.67 0.15 -3.12 0.00 0.00 179.24 176.56 1f06 h PHE 773 N 0.23 0.91 -0.64 4.55 3.57 -1.24 -1.90 116.94 122.42 1f06 h PHE 773 Ca 0.03 -0.37 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 1f06 h PHE 773 Cb 0.80 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1f06 h PHE 773 CO 0.08 1.17 0.35 1.15 -2.23 0.00 0.00 178.31 178.83 1f06 h THR 774 N 0.50 1.21 -0.59 4.41 2.02 -1.27 -1.52 112.91 117.67 1f06 h THR 774 Ca -0.02 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 1f06 h THR 774 Cb 1.27 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1f06 h THR 774 CO 0.13 0.23 0.23 0.00 0.37 0.00 0.00 175.52 176.48 1f06 h ALA 775 N 1.17 0.77 -0.73 6.16 0.00 -1.08 -0.01 119.26 125.53 1f06 h ALA 775 Ca 0.23 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1f06 h ALA 775 Cb 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1f06 h ALA 775 CO -0.04 0.39 0.47 0.77 0.00 0.00 0.00 179.25 180.85 1f06 h SER 776 N 0.82 0.80 -0.07 0.00 0.02 -0.90 0.83 113.55 115.04 1f06 h SER 776 Ca 0.20 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1f06 h SER 776 Cb 0.22 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1f06 h SER 776 CO -0.01 0.57 -0.02 -1.28 -1.14 0.00 0.00 176.83 174.94 1f06 h SER 777 N 0.94 0.14 -0.73 3.07 0.87 -1.01 -2.55 113.55 114.28 1f06 h SER 777 Ca 0.28 -0.37 0.07 0.00 -1.23 0.00 0.00 61.79 60.54 1f06 h SER 777 Cb -0.05 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 61.81 1f06 h SER 777 CO -0.08 0.48 0.41 -0.61 -0.53 0.00 0.00 176.83 176.50 1f06 h GLN 778 N -0.20 0.72 -0.24 2.24 4.15 -0.68 -1.91 115.11 119.19 1f06 h GLN 778 Ca 0.02 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1f06 h GLN 778 Cb 0.42 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1f06 h GLN 778 CO 0.01 0.47 0.13 0.82 -1.93 0.00 0.00 178.83 178.33 1f06 h ILE 779 N 0.74 1.12 -0.73 2.39 2.04 -0.81 -0.81 117.51 121.45 1f06 h ILE 779 Ca 0.34 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1f06 h ILE 779 Cb 0.24 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1f06 h ILE 779 CO -0.21 0.12 0.45 0.00 0.00 0.00 0.00 178.15 178.51 1f06 h ALA 780 N 1.01 0.97 0.00 1.87 0.00 -1.05 0.09 119.26 122.14 1f06 h ALA 780 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1f06 h ALA 780 Cb 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1f06 h ALA 780 CO -0.01 0.20 -0.01 0.74 0.00 0.00 0.00 179.25 180.17 1f06 h PHE 781 N 0.85 0.00 -0.37 0.00 -1.00 -1.15 -2.39 116.94 112.88 1f06 h PHE 781 Ca 0.30 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.94 1f06 h PHE 781 Cb 0.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1f06 h PHE 781 CO -0.05 0.01 -0.31 0.78 -1.61 0.00 0.00 178.31 177.13 1f06 h GLY 782 N 2.25 0.95 1.00 -1.45 0.00 0.50 -0.99 103.07 105.33 1f06 h GLY 782 Ca -0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 47.33 46.37 1f06 h GLY 782 CO 0.00 0.85 0.30 -0.09 0.00 0.00 0.00 176.54 177.61 1f06 h ARG 783 N 0.68 0.89 -0.52 4.80 2.43 -0.89 -2.47 114.38 119.30 1f06 h ARG 783 Ca 0.07 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1f06 h ARG 783 Cb 0.90 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1f06 h ARG 783 CO 0.08 0.71 0.23 0.00 -1.51 0.00 0.00 179.97 179.49 1f06 h ALA 784 N 1.13 0.67 -0.47 2.80 0.00 -1.27 -1.70 119.26 120.43 1f06 h ALA 784 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1f06 h ALA 784 Cb 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1f06 h ALA 784 CO -0.03 0.26 0.27 0.00 0.00 0.00 0.00 179.25 179.75 1f06 h ALA 785 N 1.08 0.59 0.08 0.00 0.00 -0.99 0.16 119.26 120.18 1f06 h ALA 785 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1f06 h ALA 785 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1f06 h ALA 785 CO -0.02 -0.04 -0.04 1.25 0.00 0.00 0.00 179.25 180.40 1f06 h HIS 786 N 0.55 -0.10 -0.79 0.00 6.17 -1.24 -1.52 115.15 118.22 1f06 h HIS 786 Ca 0.19 -0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.31 1f06 h HIS 786 Cb 0.02 0.03 -0.05 0.00 2.52 0.00 0.00 27.41 29.94 1f06 h HIS 786 CO -0.07 -0.04 0.49 0.00 0.71 0.00 0.00 177.93 179.02 1f06 h ARG 787 N -0.13 0.91 -0.63 5.26 3.08 -0.98 -1.85 114.38 120.04 1f06 h ARG 787 Ca -0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1f06 h ARG 787 Cb 0.10 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1f06 h ARG 787 CO 0.02 0.60 0.21 0.52 -1.07 0.00 0.00 179.97 180.25 1f06 h MET 788 N 0.94 0.94 -0.53 0.04 2.86 -0.71 -1.85 114.93 116.62 1f06 h MET 788 Ca 0.33 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 1f06 h MET 788 Cb 0.08 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1f06 h MET 788 CO -0.14 0.80 0.07 -0.22 1.06 0.00 0.00 176.91 178.49 1f06 h LYS 789 N 0.92 0.89 -0.77 1.72 3.64 -0.57 -1.44 116.57 120.95 1f06 h LYS 789 Ca 0.21 -0.25 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1f06 h LYS 789 Cb 0.25 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1f06 h LYS 789 CO -0.01 0.88 0.49 1.96 -2.27 0.00 0.00 179.45 180.49 1f06 h GLN 790 N 0.77 0.91 0.00 1.90 1.08 -1.01 -1.12 115.11 117.64 1f06 h GLN 790 Ca 0.16 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1f06 h GLN 790 Cb 0.43 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1f06 h GLN 790 CO 0.01 0.60 0.00 1.04 -0.95 0.00 0.00 178.83 179.54 1f06 n GLN 791 N -4.62 0.50 -0.52 1.46 6.02 -0.73 -4.81 117.38 114.68 1f06 n GLN 791 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1f06 n GLN 791 Cb 0.10 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1f06 n GLN 791 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f06 n GLY 792 N 0.00 0.74 3.88 1.08 0.00 -0.43 -5.07 105.19 105.41 1f06 n GLY 792 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1f06 n GLY 792 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f06 s GLN 793 N -0.48 3.71 -0.01 1.61 -0.21 -0.57 -5.01 119.66 118.70 1f06 s GLN 793 Ca 0.00 0.40 -0.27 0.00 0.02 0.00 0.00 55.36 55.51 1f06 s GLN 793 Cb 0.00 -2.39 0.06 0.00 1.00 0.00 0.00 33.01 31.68 1f06 s GLN 793 CO 0.00 -0.08 0.60 -1.54 -2.12 0.00 0.00 175.29 172.15 1f06 s SER 794 N -3.40 -0.56 0.00 5.90 1.04 -1.26 -4.22 113.70 111.20 1f06 s SER 794 Ca 0.50 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1f06 s SER 794 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1f06 s SER 794 CO 0.35 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1f06 n GLY 795 N 0.75 0.45 3.50 7.32 0.00 0.33 -4.83 105.19 112.72 1f06 n GLY 795 Ca -0.19 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.27 1f06 n GLY 795 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f06 s ALA 796 N -1.81 2.82 0.06 4.61 0.00 -1.26 -0.07 121.76 126.12 1f06 s ALA 796 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1f06 s ALA 796 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1f06 s ALA 796 CO 0.00 0.47 -0.08 -0.06 0.00 0.00 0.00 175.76 176.09 1f06 s PHE 797 N -0.45 0.79 0.55 0.00 0.08 0.14 -4.86 117.98 114.23 1f06 s PHE 797 Ca 0.06 -0.64 0.06 0.00 0.12 0.00 0.00 56.93 56.53 1f06 s PHE 797 Cb -0.12 -0.46 0.06 0.00 -0.57 0.00 0.00 43.02 41.93 1f06 s PHE 797 CO 0.02 -0.09 0.76 0.95 -0.10 0.00 0.00 175.22 176.75 1f06 s THR 798 N -2.15 2.49 -0.34 0.64 -4.23 -1.26 -1.37 115.64 109.42 1f06 s THR 798 Ca -0.02 -0.87 0.23 0.00 -1.18 0.00 0.00 61.69 59.85 1f06 s THR 798 Cb -0.05 -2.62 0.24 0.00 1.34 0.00 0.00 72.50 71.41 1f06 s THR 798 CO -0.01 0.00 1.70 1.33 -0.54 0.00 0.00 174.62 177.10 1f06 n VAL 799 N -2.24 0.90 0.84 2.29 0.24 -1.26 -2.06 118.33 117.05 1f06 n VAL 799 Ca 0.12 0.45 0.13 0.00 -2.04 0.00 0.00 64.34 63.00 1f06 n VAL 799 Cb 0.60 -1.41 0.54 0.00 -1.47 0.00 0.00 33.84 32.09 1f06 n VAL 799 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1f06 n LEU 800 N -2.28 0.22 -0.92 1.34 4.77 -1.26 -3.71 117.00 115.17 1f06 n LEU 800 Ca 0.01 0.52 0.07 0.00 -0.03 0.00 0.00 56.01 56.58 1f06 n LEU 800 Cb 0.15 -0.46 0.23 0.00 -2.33 0.00 0.00 43.42 41.01 1f06 n LEU 800 CO 0.16 -0.09 0.69 -0.62 -1.33 0.00 0.00 177.39 176.20 1f06 n GLU 801 N -1.71 3.06 -4.79 3.23 1.02 -0.87 -4.94 120.64 115.63 1f06 n GLU 801 Ca 0.06 -2.48 -0.32 0.00 -0.02 0.00 0.00 57.16 54.39 1f06 n GLU 801 Cb 0.34 -1.58 -0.16 0.00 -0.02 0.00 0.00 31.44 30.02 1f06 n GLU 801 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1f06 s VAL 802 N -1.76 2.16 0.31 2.62 -7.23 -1.24 -4.98 120.40 110.28 1f06 s VAL 802 Ca 0.35 -0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 59.27 1f06 s VAL 802 Cb 0.24 -1.86 -0.11 0.00 0.56 0.00 0.00 36.38 35.21 1f06 s VAL 802 CO 0.16 0.55 1.46 0.00 -0.31 0.00 0.00 175.10 176.96 1f06 s ALA 803 N 0.69 3.62 0.27 1.32 0.00 -1.26 -4.91 121.76 121.49 1f06 s ALA 803 Ca -0.10 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.29 1f06 s ALA 803 Cb -0.16 -3.58 0.61 0.00 0.00 0.00 0.00 23.12 19.99 1f06 s ALA 803 CO 0.01 -0.86 1.64 -1.35 0.00 0.00 0.00 175.76 175.20 1f06 h PRO 804 N 4.15 0.15 -0.06 0.00 0.11 -1.98 -2.41 132.00 131.96 1f06 h PRO 804 Ca -0.48 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1f06 h PRO 804 Cb 1.23 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1f06 h PRO 804 CO 0.72 0.10 0.12 0.10 -0.21 0.00 0.00 178.00 178.83 1f06 h TYR 805 N 0.16 0.00 0.00 0.65 -0.00 -1.98 -2.66 116.97 113.14 1f06 h TYR 805 Ca 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 59.22 1f06 h TYR 805 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.70 1f06 h TYR 805 CO -0.34 0.00 -0.07 -0.07 -0.00 0.00 0.00 178.16 177.68 1f06 h LEU 806 N 0.00 0.00 0.00 0.10 3.38 -1.81 -2.86 115.31 114.12 1f06 h LEU 806 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1f06 h LEU 806 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1f06 h LEU 806 CO -0.00 0.07 -0.53 -0.07 0.09 0.00 0.00 178.44 178.00 1f06 h LEU 807 N 0.00 0.00 -9.64 1.67 3.38 -1.68 -3.25 115.31 105.79 1f06 h LEU 807 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1f06 h LEU 807 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1f06 h LEU 807 CO 0.01 0.17 0.33 -0.55 0.09 0.00 0.00 178.44 178.49 1f06 s SER 808 N -5.99 7.52 0.00 -0.43 0.15 -1.08 -4.78 113.70 109.09 1f06 s SER 808 Ca 0.03 1.81 0.18 0.00 0.70 0.00 0.00 55.95 58.67 1f06 s SER 808 Cb 0.07 -2.58 0.77 0.00 -1.71 0.00 0.00 66.02 62.57 1f06 s SER 808 CO 0.73 0.04 1.57 -0.81 1.20 0.00 0.00 173.24 175.98 1f06 n PRO 809 N 2.24 0.01 -2.90 5.44 -0.04 -1.26 -4.75 135.00 133.74 1f06 n PRO 809 Ca -0.00 0.19 -0.28 0.00 -0.04 0.00 0.00 63.50 63.36 1f06 n PRO 809 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1f06 n PRO 809 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1f06 s GLU 810 N -2.99 3.64 0.51 0.54 0.41 -1.26 -5.07 118.70 114.49 1f06 s GLU 810 Ca 0.09 0.23 -0.18 0.00 -0.41 0.00 0.00 54.97 54.70 1f06 s GLU 810 Cb 0.12 -2.45 -0.08 0.00 -1.78 0.00 0.00 34.13 29.94 1f06 s GLU 810 CO 0.33 -0.04 1.01 -0.80 -0.49 0.00 0.00 175.26 175.27 1f06 s ASN 811 N -3.56 6.39 0.23 -0.19 0.02 -1.26 -4.92 114.94 111.66 1f06 s ASN 811 Ca 0.48 1.76 -0.06 0.00 -1.02 0.00 0.00 52.86 54.02 1f06 s ASN 811 Cb -0.10 -2.54 0.40 0.00 0.02 0.00 0.00 41.25 39.04 1f06 s ASN 811 CO 0.36 -0.74 1.74 0.25 0.02 0.00 0.00 177.10 178.73 1f06 h LEU 812 N 1.18 0.31 -0.80 0.60 5.85 -1.95 -2.10 115.31 118.40 1f06 h LEU 812 Ca -0.48 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.41 1f06 h LEU 812 Cb 1.20 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 1f06 h LEU 812 CO 0.60 0.14 0.47 0.44 -0.34 0.00 0.00 178.44 179.74 1f06 h ASP 813 N 0.47 0.70 -0.48 1.25 3.32 -1.99 0.83 116.42 120.51 1f06 h ASP 813 Ca 0.38 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.36 1f06 h ASP 813 Cb 0.53 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1f06 h ASP 813 CO -0.36 0.43 -0.09 0.44 -1.72 0.00 0.00 179.24 177.93 1f06 h ASP 814 N 0.82 0.95 0.06 6.45 3.45 -1.78 -1.88 116.42 124.48 1f06 h ASP 814 Ca 0.37 -0.30 -0.00 0.00 0.43 0.00 0.00 57.03 57.52 1f06 h ASP 814 Cb 0.26 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1f06 h ASP 814 CO -0.21 1.06 -0.03 -0.07 -1.57 0.00 0.00 179.24 178.42 1f06 h LEU 815 N 0.85 -0.06 -0.66 1.55 4.07 -0.84 -1.48 115.31 118.74 1f06 h LEU 815 Ca 0.14 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1f06 h LEU 815 Cb 0.63 0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 1f06 h LEU 815 CO 0.04 0.12 0.34 0.40 -1.08 0.00 0.00 178.44 178.27 1f06 h ILE 816 N -0.25 1.22 -0.13 1.22 2.04 -0.85 0.26 117.51 121.01 1f06 h ILE 816 Ca -0.01 -0.58 -0.11 0.00 1.00 0.00 0.00 64.86 65.17 1f06 h ILE 816 Cb 0.22 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1f06 h ILE 816 CO 0.01 0.24 -0.40 0.00 0.00 0.00 0.00 178.15 178.01 1f06 h ALA 817 N 1.16 1.07 0.00 1.87 0.00 -1.33 -3.28 119.26 118.75 1f06 h ALA 817 Ca 0.23 -0.41 -0.27 0.00 0.00 0.00 0.00 54.91 54.46 1f06 h ALA 817 Cb 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1f06 h ALA 817 CO -0.03 0.59 -2.03 -2.13 0.00 0.00 0.00 179.25 175.65 1f06 n ARG 818 N -4.03 0.85 -0.01 0.00 0.63 -0.56 -4.81 116.66 108.73 1f06 n ARG 818 Ca -0.01 0.07 0.09 0.00 -0.92 0.00 0.00 57.85 57.08 1f06 n ARG 818 Cb 0.48 -1.37 -0.13 0.00 0.45 0.00 0.00 32.46 31.89 1f06 n ARG 818 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1f06 n ASP 819 N -2.88 0.75 0.00 6.15 8.00 0.88 -5.08 116.55 124.38 1f06 n ASP 819 Ca -0.30 -0.37 0.12 0.00 0.71 0.00 0.00 54.79 54.95 1f06 n ASP 819 Cb 0.89 1.52 0.70 0.00 -0.02 0.00 0.00 41.12 44.20 1f06 n ASP 819 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33